UCSF

ZINC22163298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 Yes

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) 0.53 1.25 -46.68 3 3 1 40 199.318 3
Hi High (pH 8-9.5) 0.53 1.39 -2.28 2 3 0 38 198.31 3
Mid Mid (pH 6-8) 0.53 3.24 -30.13 3 3 1 40 199.318 3
Mid Mid (pH 6-8) 0.53 3.13 -129.63 4 3 2 41 200.326 3

Activity (Go SEA)

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