UCSF

ZINC19514783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 No

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) 2.30 8.01 -50.56 4 4 1 55 295.476 9
Lo Low (pH 4.5-6) 2.30 8.35 -102.86 5 4 2 57 296.484 9

Activity (Go SEA)

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