UCSF

ZINC72841232

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2012 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.85 8.55 -49.54 2 4 1 43 355.792 6
Hi High (pH 8-9.5) 3.85 6.05 -11.31 1 4 0 42 354.784 6

Activity (Go SEA)

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