UCSF

ZINC16737132

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 5.17 13.6 -16.06 0 7 0 82 470.525 7
Lo Low (pH 4.5-6) 5.17 13.88 -34.54 1 7 1 83 471.533 7

Activity (Go SEA)

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