UCSF

ZINC19470986

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.98 3.09 -59.75 3 6 -1 108 270.268 5
Lo Low (pH 4.5-6) 0.98 3.44 -82.3 4 6 0 109 271.276 5

Activity (Go SEA)

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