UCSF

ZINC05224930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 18 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) 0.17 4.1 -33.14 2 4 1 50 244.318 6
Lo Low (pH 4.5-6) 0.17 4.65 -186.28 4 4 3 53 246.334 6
Lo Low (pH 4.5-6) 0.17 4.38 -96.21 3 4 2 52 245.326 6

Activity (Go SEA)

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