UCSF

ZINC02495239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 26 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) 6.90 1.27 -8.38 1 2 0 28 338.454 4
Mid Mid (pH 6-8) 6.90 1.47 -26.29 2 2 1 29 339.462 4

Activity (Go SEA)

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