UCSF

ZINC33822265

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 5.04 8.36 -48.94 1 3 -1 60 269.405 14
Lo Low (pH 4.5-6) 5.04 7.24 -10.3 2 3 0 58 270.413 14

Activity (Go SEA)

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