UCSF

ZINC37015754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.62 4.69 -48.96 1 6 -1 110 295.34 6
Hi High (pH 8-9.5) 1.62 4.85 -104.35 0 6 -2 112 294.332 6

Activity (Go SEA)

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