UCSF

ZINC04704668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 25 No

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) 5.03 9.82 -11.69 1 5 0 62 353.447 3
Mid Mid (pH 6-8) 4.54 9.68 -50.49 0 5 -1 60 352.439 4
Lo Low (pH 4.5-6) 4.54 11.2 -36.03 2 5 1 60 354.455 4

Activity (Go SEA)

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