UCSF

ZINC13281534

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 28 Yes

Popular Name: 8-(1H-benzimidazol-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 8-(1H-benzimidazol-2-ylmethyl)-3…

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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) 2.73 7.81 -12.05 1 6 0 55 375.476 3 ↓
Mid Mid (pH 6-8) 2.73 8.15 -29.65 2 6 1 57 376.484 3 ↓
Lo Low (pH 4.5-6) 2.73 10.61 -111.58 3 6 2 58 377.492 3 ↓

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

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