UCSF

ZINC54111241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 20 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) 3.87 7 -37.09 2 3 1 29 344.317 9
Mid Mid (pH 6-8) 3.87 9.44 -111.62 3 3 2 30 345.325 9
Mid Mid (pH 6-8) 3.87 8.06 -31.98 2 3 1 26 344.317 9

Activity (Go SEA)

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