UCSF

ZINC44509570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) -0.18 -0.55 -44.37 0 6 -1 106 273.315 4
Lo Low (pH 4.5-6) -0.18 -0.71 -24.59 1 6 0 104 274.323 4

Activity (Go SEA)

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