UCSF

ZINC22046685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) -2.84 -6.91 -45.61 6 6 1 106 205.234 2
Mid Mid (pH 6-8) -2.84 -8.3 -13.39 5 6 0 102 204.226 2

Activity (Go SEA)

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