UCSF

ZINC22701266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 Yes

Popular Name: N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanamide N-[1-(2-diethylaminoethyl)benzim…

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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) 4.22 14.6 -46.05 2 7 1 72 439.628 10 ↓
Hi High (pH 8-9.5) 4.22 13.03 -11.35 1 7 0 71 438.62 10 ↓
Lo Low (pH 4.5-6) 4.04 15.72 -105.38 3 7 2 70 440.636 11 ↓

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

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