UCSF

ZINC22061272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.84 -4.49 -46.38 2 10 -1 133 354.357 4
Mid Mid (pH 6-8) -0.84 -4.98 -13.98 3 10 0 136 355.365 4

Activity (Go SEA)

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