UCSF

ZINC05260605

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 20 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) 7.58 13.46 -45.18 0 2 -1 40 281.46 15
Lo Low (pH 4.5-6) 7.58 12.34 -6.62 1 2 0 37 282.468 15

Activity (Go SEA)

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