UCSF

ZINC57947883

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 18 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) 1.85 6.33 -36.98 1 4 1 32 252.334 6
Mid Mid (pH 6-8) 1.85 4.08 -7.63 0 4 0 31 251.326 6

Activity (Go SEA)

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