UCSF

ZINC57169821

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2011 26 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) 0.81 4.7 -41.76 4 6 1 86 360.478 6
Hi High (pH 8-9.5) 0.81 2.48 -9.87 3 6 0 85 359.47 6

Activity (Go SEA)

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