UCSF

ZINC06177059

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2006 25 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) 3.50 4.95 -14.73 2 6 0 81 356.403 5
Mid Mid (pH 6-8) 3.50 4.12 -47.11 1 6 -1 83 355.395 5

Activity (Go SEA)

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