UCSF

ZINC04848462

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 28 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) 4.38 8.85 -14.13 2 6 0 68 373.412 4
Mid Mid (pH 6-8) 4.38 9.35 -31.67 3 6 1 69 374.42 4

Activity (Go SEA)

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