UCSF

ZINC39324213

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) 5.88 9.35 -10.52 3 4 0 68 432.307 3
Lo Low (pH 4.5-6) 5.88 9.05 -34.25 4 4 1 69 433.315 3

Activity (Go SEA)

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