UCSF

ZINC39230183

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 3.96 11.88 -9.38 1 5 0 58 402.542 4
Lo Low (pH 4.5-6) 3.96 12.35 -30.6 2 5 1 59 403.55 4
Lo Low (pH 4.5-6) 3.96 12.23 -32.49 2 5 1 59 403.55 4

Activity (Go SEA)

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