UCSF

ZINC16731609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 24 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) 5.66 11.21 -6.79 0 2 0 37 354.372 6
Lo Low (pH 4.5-6) 5.66 11.37 -39.8 1 2 1 38 355.38 6

Activity (Go SEA)

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