UCSF

ZINC43415703

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.01 4.79 -52.78 4 5 1 84 292.403 9
Mid Mid (pH 6-8) 1.01 3.37 -10.35 3 5 0 83 291.395 9

Activity (Go SEA)

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