UCSF

ZINC22710130

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 No

Popular Name: N-[[(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]carbamoyl-(4-chlorophenyl)carbamoyl]-4-ch N-[[(3aS,7aR)-3a,4,5,6,7,7a-hexa…

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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) 4.30 11.37 -64.36 2 8 -1 109 473.34 4 ↓
Mid Mid (pH 6-8) 4.67 12.79 -21.94 3 8 0 103 474.348 2 ↓
Mid Mid (pH 6-8) 4.67 11.67 -51.21 2 8 -1 105 473.34 2 ↓
Mid Mid (pH 6-8) 4.67 12.05 -60.47 2 8 -1 105 473.34 2 ↓
Mid Mid (pH 6-8) 4.67 11.72 -51.36 2 8 -1 105 473.34 2 ↓
Mid Mid (pH 6-8) 4.67 12.02 -60.71 2 8 -1 105 473.34 2 ↓

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Rings

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

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