UCSF

ZINC12304712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.26 7.64 -45.79 2 5 1 55 321.404 4
Lo Low (pH 4.5-6) 2.26 7.9 -116.73 3 5 2 56 322.412 4

Activity (Go SEA)

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