UCSF

ZINC22327113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 20 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) 3.34 5.31 -14.9 2 5 0 65 291.738 3
Mid Mid (pH 6-8) 3.34 6.34 -50.34 1 5 -1 68 290.73 3
Lo Low (pH 4.5-6) 3.34 5.59 -38.78 3 5 1 67 292.746 3

Activity (Go SEA)

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