UCSF

ZINC34582155

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 2.47 11.4 -40.7 1 5 1 57 332.42 7
Hi High (pH 8-9.5) 2.47 9.03 -9.46 0 5 0 56 331.412 7

Activity (Go SEA)

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