UCSF

ZINC43419809

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.49 4.92 -9.74 2 5 0 83 246.314 6
Lo Low (pH 4.5-6) 0.49 5.41 -41.24 3 5 1 84 247.322 6

Activity (Go SEA)

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