UCSF

ZINC63938140

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 30 No

Popular Name: (3S)-5-(2H-benzimidazol-2-ylsulfanylmethyl)-2-(3-chlorophenyl)-4-phenyl-1,3-dihydropyrazol-3-amine (3S)-5-(2H-benzimidazol-2-ylsulf…

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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) 5.63 8.91 -108.53 5 5 2 69 435.984 5 ↓
Mid Mid (pH 6-8) 5.63 9.23 -180.78 6 5 3 71 436.992 5 ↓

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

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