UCSF

ZINC29315807

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 22 Yes

Popular Name: methyl methyl

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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) 2.04 5.74 -5.25 3 5 0 88 303.406 9 ↓
Mid Mid (pH 6-8) 2.04 6.06 -47.92 4 5 1 90 304.414 9 ↓
Mid Mid (pH 6-8) 2.04 6.75 -41.86 4 5 1 93 304.414 9 ↓
Mid Mid (pH 6-8) 2.04 7.08 -127.99 5 5 2 94 305.422 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-2-E Aminopeptidase N (cluster #2 Of 5), Eukaryotic Eukaryotes 2400 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_HUMAN P15144 Aminopeptidase N, Human 2400 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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