UCSF

ZINC09489428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 25 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) 4.99 11.15 -16.01 0 4 0 44 330.435 1
Lo Low (pH 4.5-6) 4.99 11.56 -25.4 1 4 1 46 331.443 1

Activity (Go SEA)

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