UCSF

ZINC08764319

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 26 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) 0.34 1.98 -51.83 2 8 -1 123 358.326 6
Mid Mid (pH 6-8) 0.79 0.36 -27.84 3 8 0 120 359.334 5

Activity (Go SEA)

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