UCSF

ZINC43150932

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 33 No

Popular Name: RD 162 RD 162

Find On: PubMed — Wikipedia — Google

CAS Number: 915087-27-3

Other Names:

MFCD17392574

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) 3.95 11.63 -22.83 1 6 0 76 476.455 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81170-1-O LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other Other 122 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81170 Z81170 LNCaP (Prostate Carcinoma) 122 0.29 Functional ≤ 10μM

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

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