UCSF

ZINC44610526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.63 4.64 -46.49 2 7 1 72 248.314 3
Hi High (pH 8-9.5) 0.63 2.49 -8.52 1 7 0 71 247.306 3

Activity (Go SEA)

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