UCSF

ZINC39239884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 17 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) 0.66 4.88 -116.9 1 6 -2 102 237.211 5
Lo Low (pH 4.5-6) 0.66 4.98 -68.35 2 6 -1 106 238.219 5

Activity (Go SEA)

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