UCSF

ZINC39256125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 3.72 6.57 -5.17 0 1 0 13 191.661 0
Lo Low (pH 4.5-6) 3.72 6.96 -26.34 1 1 1 14 192.669 0

Activity (Go SEA)

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