UCSF

ZINC22163305

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 2.22 -39.69 3 3 1 40 199.318 3
Hi High (pH 8-9.5) 0.53 2.08 -2.37 2 3 0 38 198.31 3
Mid Mid (pH 6-8) 0.53 3.83 -116.7 4 3 2 41 200.326 3
Mid Mid (pH 6-8) 0.53 3.66 -33.36 3 3 1 40 199.318 3

Activity (Go SEA)

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