UCSF

ZINC22449845

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 20 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) -4.21 -0.84 -90.12 4 8 0 117 288.348 4
Mid Mid (pH 6-8) -4.21 -0.28 -121.77 4 8 0 117 288.348 4
Mid Mid (pH 6-8) -4.21 -1.7 -74.77 3 8 -1 112 287.34 4
Mid Mid (pH 6-8) -4.21 1.13 -170.09 5 8 1 121 289.356 4
Lo Low (pH 4.5-6) -4.21 1.43 -144.02 5 8 1 118 289.356 4

Activity (Go SEA)

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