UCSF

ZINC43401311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.73 4.2 -34.52 4 5 1 77 265.381 7
Mid Mid (pH 6-8) 0.73 5.87 -5.44 3 5 0 75 264.373 7
Lo Low (pH 4.5-6) 0.73 4.87 -85.71 5 5 2 78 266.389 7

Activity (Go SEA)

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