UCSF

ZINC39236048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 13 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) 1.62 3.4 -11.03 0 3 0 43 179.15 0
Lo Low (pH 4.5-6) 1.62 4.4 -41.6 1 3 1 44 180.158 0

Activity (Go SEA)

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