UCSF

ZINC34836831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 4.49 11.14 -28.38 1 8 0 94 478.574 7
Hi High (pH 8-9.5) 4.67 8.92 -63.07 0 8 -1 100 477.566 7

Activity (Go SEA)

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