UCSF

ZINC33904463

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 19 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) 1.53 4.61 -13.96 0 4 0 50 280.324 4
Lo Low (pH 4.5-6) 1.53 5.07 -37.28 1 4 1 52 281.332 4

Activity (Go SEA)

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