UCSF

ZINC44691181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 Yes

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) 0.33 0.87 -28.79 4 5 1 71 212.273 7
Hi High (pH 8-9.5) 0.33 0.38 -7.76 3 5 0 69 211.265 7

Activity (Go SEA)

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