UCSF

ZINC57814794

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 19 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) 4.58 9.28 -60.61 2 2 0 16 296.221 4
Mid Mid (pH 6-8) 4.58 8.51 -3.42 1 2 0 15 295.213 4

Activity (Go SEA)

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