UCSF

ZINC41585701

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) 5.09 11.8 -55.13 2 6 1 67 475.54 5
Hi High (pH 8-9.5) 5.09 10.13 -41.38 0 6 -1 69 473.524 5
Mid Mid (pH 6-8) 5.09 12.37 -35.44 1 6 0 70 474.532 5
Mid Mid (pH 6-8) 5.09 9.55 -10.77 1 6 0 66 474.532 5

Activity (Go SEA)

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