UCSF

ZINC22612144

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 22 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) 2.38 4.97 -14.5 1 5 0 51 326.824 6
Mid Mid (pH 6-8) 2.38 6.96 -51.75 2 5 1 52 327.832 6

Activity (Go SEA)

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