UCSF

ZINC42249649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 0.84 1.95 -6.87 3 6 0 91 250.233 3
Mid Mid (pH 6-8) 1.30 0.28 -38.71 2 6 -1 94 249.225 3

Activity (Go SEA)

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