UCSF

ZINC42835168

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 37 No

Popular Name: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-(3,3-diphenylpropylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14 (2S,3S,5S,8R,9S,10S,13S,14S,17S)…

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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) 6.58 12.82 -45.42 4 3 1 57 502.763 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-1-O HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other Other 3100 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 3100 0.21 Functional ≤ 10μM

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