UCSF

ZINC17970258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 30 No

Popular Name: (E)-3-[3-[(4-cyano-1-hydroxy-3-methyl-pyrido[1,6-a]benzimidazol-2-yl)methyleneamino]phenyl]prop-2-en (E)-3-[3-[(4-cyano-1-hydroxy-3-m…

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Download: MOL2 SDF SMILES Flexibase

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) 4.20 11.22 -100.98 0 7 -2 117 394.39 4 ↓
Mid Mid (pH 6-8) 4.20 9.78 -70.91 2 7 0 115 396.406 4 ↓
Lo Low (pH 4.5-6) 4.20 12.17 -66.97 1 7 -1 118 395.398 4 ↓
Lo Low (pH 4.5-6) 3.68 12.18 -68.58 1 7 -1 110 395.398 4 ↓

Activity (Go SEA)

Rings

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

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