UCSF

ZINC20266921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 1.64 4.08 -46.52 3 4 1 43 278.42 6
Mid Mid (pH 6-8) 1.64 6.03 -38.14 3 4 1 43 278.42 6
Lo Low (pH 4.5-6) 1.64 6.37 -110.68 4 4 2 45 279.428 6

Activity (Go SEA)

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