UCSF

ZINC22041866

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 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) 5.84 13.95 -45.17 1 3 1 17 452.043 4
Mid Mid (pH 6-8) 5.84 11.69 -5.88 0 3 0 16 451.035 4
Mid Mid (pH 6-8) 5.84 13.13 -40.61 1 3 1 17 452.043 4

Activity (Go SEA)

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