UCSF

ZINC22586720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 21 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) 2.97 6.79 -37.6 2 3 1 28 283.395 4
Mid Mid (pH 6-8) 2.97 6.72 -34.42 2 3 1 28 283.395 4
Mid Mid (pH 6-8) 2.97 4.41 -6.78 1 3 0 27 282.387 4

Activity (Go SEA)

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