UCSF

ZINC45628385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 1.83 5.56 -23.4 3 3 1 45 180.275 2
Mid Mid (pH 6-8) 1.83 5.44 -6.21 2 3 0 44 179.267 2

Activity (Go SEA)

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