UCSF

ZINC09274218

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 36 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) 5.56 0.78 -16.51 0 7 0 73 497.576 8
Lo Low (pH 4.5-6) 5.56 0.9 -45.83 1 7 1 75 498.584 8

Activity (Go SEA)

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