UCSF

ZINC33681926

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 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) 0.62 5.42 -10.54 0 4 0 53 241.294 6
Lo Low (pH 4.5-6) 0.62 5.88 -39.7 1 4 1 54 242.302 6

Activity (Go SEA)

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