UCSF

ZINC33935374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 20 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) 4.71 6.44 -11.25 1 4 0 62 373.297 2
Mid Mid (pH 6-8) 3.78 5.92 -48.94 0 4 -1 61 372.289 3

Activity (Go SEA)

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