UCSF

ZINC38272213

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 16 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) 0.34 -0.67 -11.34 3 6 0 104 226.184 4
Mid Mid (pH 6-8) 0.34 0.34 -46.96 2 6 -1 107 225.176 4

Activity (Go SEA)

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