UCSF

ZINC34540190

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 2.73 5.58 -2.74 1 1 0 12 161.248 1
Lo Low (pH 4.5-6) 2.73 6.08 -35.37 2 1 1 17 162.256 1

Activity (Go SEA)

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