UCSF

ZINC31935163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.27 8.77 -47.76 3 3 1 45 294.422 4
Lo Low (pH 4.5-6) 3.27 9.19 -93.03 4 3 2 46 295.43 4

Activity (Go SEA)

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