UCSF

ZINC13407406

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 17 No

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) 0.08 -0.55 -10.52 3 6 0 95 234.211 2
Mid Mid (pH 6-8) 0.53 -3.37 -44.12 2 6 -1 98 233.203 2
Mid Mid (pH 6-8) 0.53 -3.66 -43.77 2 6 -1 98 233.203 2

Activity (Go SEA)

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