UCSF

ZINC06582531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 14 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) 2.07 5.25 -44.71 0 3 -1 53 187.174 1
Mid Mid (pH 6-8) 2.07 4.43 -13.65 1 3 0 50 188.182 1

Activity (Go SEA)

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