UCSF

ZINC41584969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 4.30 10.19 -52.77 2 7 1 77 473.549 7
Hi High (pH 8-9.5) 4.30 8.68 -47.15 0 7 -1 78 471.533 7
Mid Mid (pH 6-8) 4.30 7.91 -15.85 1 7 0 75 472.541 7
Mid Mid (pH 6-8) 4.30 10.17 -50.6 2 7 1 77 473.549 7

Activity (Go SEA)

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