UCSF

ZINC43618108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 0.45 5.31 -40.26 2 5 1 69 218.273 9
Mid Mid (pH 6-8) 0.45 4.12 -7.97 1 5 0 65 217.265 9

Activity (Go SEA)

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