UCSF

ZINC05337184

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 22 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) 6.13 12.89 -5.99 0 1 0 13 287.406 2
Lo Low (pH 4.5-6) 6.13 13.14 -25.71 1 1 1 14 288.414 2

Activity (Go SEA)

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