UCSF

ZINC36165849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) -0.07 4.73 -44.27 2 5 1 53 237.327 2
Mid Mid (pH 6-8) -0.07 2.5 -8.91 1 5 0 52 236.319 2

Activity (Go SEA)

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