UCSF

ZINC12367388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 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) 3.00 0.67 -58.72 1 8 -1 113 375.364 4
Mid Mid (pH 6-8) 3.00 0.92 -73.33 2 8 0 114 376.372 4

Activity (Go SEA)

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