UCSF

ZINC39648665

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 13 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) -1.47 0.41 -42.6 5 3 1 63 181.259 4
Lo Low (pH 4.5-6) -1.47 0.71 -123.39 6 3 2 65 182.267 4

Activity (Go SEA)

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