UCSF

ZINC01358205

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 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) 2.28 6.68 -15.77 2 6 0 84 324.384 4
Lo Low (pH 4.5-6) 2.28 6.47 -35.45 3 6 1 85 325.392 4

Activity (Go SEA)

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