UCSF

ZINC34515123

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 0.37 4.16 -7.96 0 5 0 56 217.265 9
Mid Mid (pH 6-8) 0.37 6.32 -44.12 1 5 1 57 218.273 9

Activity (Go SEA)

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