UCSF

ZINC39964109

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 2.56 11.61 -14.67 1 7 0 76 376.416 5
Mid Mid (pH 6-8) 2.56 12.08 -35.97 2 7 1 78 377.424 5

Activity (Go SEA)

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