UCSF

ZINC07461859

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 19 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) 0.69 3.05 -16.15 3 7 0 118 292.349 4
Lo Low (pH 4.5-6) 0.69 3.29 -53.94 4 7 1 119 293.357 4
Lo Low (pH 4.5-6) 0.69 -0.26 -42.72 4 7 1 119 293.357 4

Activity (Go SEA)

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