UCSF

ZINC13127818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 Yes

Popular Name: (6E)-6-[(4S)-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one (6E)-6-[(4S)-4-phenyl-3,4-dihydr…

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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) 5.08 12.04 -25.93 2 4 1 52 340.406 2 ↓
Hi High (pH 8-9.5) 5.08 12.34 -66.57 0 4 -1 53 338.39 2 ↓
Mid Mid (pH 6-8) 5.08 11.38 -30.05 2 4 1 52 340.406 2 ↓
Mid Mid (pH 6-8) 5.08 11.57 -17.44 1 4 0 50 339.398 2 ↓

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