UCSF

ZINC42471167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.03 2.37 -51.94 1 6 -1 89 222.224 2
Lo Low (pH 4.5-6) 0.03 2.47 -39.77 2 6 0 91 223.232 2

Activity (Go SEA)

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