UCSF

ZINC36155784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 0.87 1.66 -7.68 1 3 0 38 177.203 1
Mid Mid (pH 6-8) 0.87 3.02 -50.76 2 3 1 43 178.211 1

Activity (Go SEA)

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