UCSF

ZINC52290113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.92 5.89 -24.7 2 2 1 26 163.244 2
Hi High (pH 8-9.5) 1.92 5.46 -4.54 1 2 0 25 162.236 2

Activity (Go SEA)

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