UCSF

ZINC39315170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 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) 3.25 8.67 -46.43 0 3 -1 57 247.314 6
Lo Low (pH 4.5-6) 3.25 6.69 -6.17 1 3 0 54 248.322 6

Activity (Go SEA)

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