UCSF

ZINC08419174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 27 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) 5.22 10 -14.88 1 4 0 59 403.841 3
Mid Mid (pH 6-8) 5.68 9.1 -46.02 0 4 -1 62 402.833 3
Lo Low (pH 4.5-6) 5.22 9.58 -45.09 2 4 1 60 404.849 3

Activity (Go SEA)

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