UCSF

ZINC63938131

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 32 No

Popular Name: 3-[(3S)-3-amino-5-(2H-benzimidazol-2-ylsulfanylmethyl)-4-phenyl-1,3-dihydropyrazol-2-yl]benzoic 3-[(3S)-3-amino-5-(2H-benzimidaz…

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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) 4.86 9.27 -184.4 6 7 2 111 445.548 6 ↓
Mid Mid (pH 6-8) 4.86 8.96 -175.58 5 7 1 109 444.54 6 ↓

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

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