UCSF

ZINC39304219

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 2.69 7.9 -50.53 2 6 1 65 354.43 5
Lo Low (pH 4.5-6) 2.69 8.36 -97.15 3 6 2 66 355.438 5

Activity (Go SEA)

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