UCSF

ZINC37006353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.61 3.7 -12.73 2 5 0 75 339.244 7
Mid Mid (pH 6-8) 2.61 3.76 -44.95 1 5 -1 77 338.236 7

Activity (Go SEA)

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