UCSF

ZINC42507444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.77 0 -44.38 3 6 1 86 213.261 5
Hi High (pH 8-9.5) -0.77 -1.84 -14.11 2 6 0 85 212.253 5

Activity (Go SEA)

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