UCSF

ZINC44715367

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 26 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) 0.86 7.99 -38.67 1 7 1 69 357.434 4
Mid Mid (pH 6-8) 0.86 7.58 -13.47 0 7 0 68 356.426 4

Activity (Go SEA)

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