UCSF

ZINC27647183

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 26 Yes

Popular Name: PF-622 PF-622

Find On: PubMed — Wikipedia — Google

CAS Number: 898235-65-9

Other Names:

DNC013697

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.06 7.56 -15.07 1 5 0 48 346.434 3 ↓
Mid Mid (pH 6-8) 3.06 9.88 -51.62 2 5 1 50 347.442 3 ↓
Mid Mid (pH 6-8) 3.06 7.92 -39.29 2 5 1 50 347.442 3 ↓
Lo Low (pH 4.5-6) 3.06 10.25 -126.42 3 5 2 51 348.45 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 500 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 33 0.40 Binding ≤ 1μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 33 0.40 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 33 0.40 Binding ≤ 10μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 33 0.40 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.