UCSF

ZINC19725913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 21 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) 1.29 4.63 -93.96 3 5 2 43 295.427 6
Hi High (pH 8-9.5) 1.29 2.1 -40.39 2 5 1 42 294.419 6

Activity (Go SEA)

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