UCSF

ZINC22455517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.62 5.7 -42.36 1 5 1 37 272.413 7
Hi High (pH 8-9.5) 1.62 3.17 -6.14 0 5 0 36 271.405 7
Mid Mid (pH 6-8) 1.62 5.43 -41.58 1 5 1 37 272.413 7
Mid Mid (pH 6-8) 1.62 7.74 -115.71 2 5 2 38 273.421 7

Activity (Go SEA)

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