UCSF

ZINC40449391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 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) 5.03 11.29 -47.72 0 4 -1 59 337.48 13
Lo Low (pH 4.5-6) 5.03 9.31 -7.57 1 4 0 56 338.488 13

Activity (Go SEA)

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