UCSF

ZINC39327949

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 3.38 6.51 -11.62 3 5 0 81 402.47 4
Lo Low (pH 4.5-6) 3.38 6.9 -35.65 4 5 1 82 403.478 4

Activity (Go SEA)

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