UCSF

ZINC53358258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 29 Yes

Popular Name: 3-[3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-1,2,3-benzotriazin-4-one 3-[3-[(2R)-2-(1H-benzimidazol-2-…

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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) 2.11 7.13 -21.6 1 8 0 97 388.431 4 ↓
Lo Low (pH 4.5-6) 2.11 7.64 -32.23 2 8 1 98 389.439 4 ↓

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

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