UCSF

ZINC04970452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 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) 3.42 6.17 -6.67 0 3 0 27 272.323 3
Lo Low (pH 4.5-6) 3.42 7.66 -27.87 1 3 1 28 273.331 3

Activity (Go SEA)

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