UCSF

ZINC39338501

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 1.84 1.83 -5.05 2 3 0 44 167.208 2
Lo Low (pH 4.5-6) 1.84 1.72 -38.82 3 3 1 46 168.216 2

Activity (Go SEA)

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