UCSF

ZINC41584830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 4.61 10.93 -46.98 2 6 1 67 471.577 6
Hi High (pH 8-9.5) 4.61 9.2 -44.71 0 6 -1 69 469.561 6
Mid Mid (pH 6-8) 4.61 10.88 -47.86 2 6 1 67 471.577 6
Mid Mid (pH 6-8) 4.61 11.5 -31.46 1 6 0 70 470.569 6
Mid Mid (pH 6-8) 4.61 8.63 -10.31 1 6 0 66 470.569 6

Activity (Go SEA)

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