UCSF

ZINC48461938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 20 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) -0.23 -0.87 -23.67 3 7 0 104 299.352 6
Hi High (pH 8-9.5) -0.23 -0.7 -61.65 2 7 -1 106 298.344 6

Activity (Go SEA)

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