UCSF

ZINC65534616

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: (3aR,4S)-4-[(2S)-3-[(2-chlorophenyl)methyl]-1,2-dihydrobenzimidazol-2-yl]-4,5,6,7-tetrahydro-3aH-imi (3aR,4S)-4-[(2S)-3-[(2-chlorophe…

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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) 3.59 8.17 -40.76 4 5 1 57 366.876 3 ↓
Hi High (pH 8-9.5) 3.59 7.69 -7.84 3 5 0 56 365.868 3 ↓
Lo Low (pH 4.5-6) 3.59 9.42 -92.82 5 5 2 62 367.884 3 ↓
Lo Low (pH 4.5-6) 3.59 9.22 -44.61 4 5 1 61 366.876 3 ↓

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

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