UCSF

ZINC61036448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2011 25 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) 4.74 8.96 -15.87 1 4 0 45 371.893 5
Lo Low (pH 4.5-6) 4.74 9.7 -81.95 2 4 0 46 372.901 5

Activity (Go SEA)

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