UCSF

ZINC36782485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) -0.82 1.37 -47.84 2 6 -1 98 213.213 6
Lo Low (pH 4.5-6) -0.82 -0.61 -10.54 3 6 0 95 214.221 6

Activity (Go SEA)

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