UCSF

ZINC41584729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 4.26 12.76 -61.6 2 7 1 86 499.587 5
Hi High (pH 8-9.5) 4.26 11.19 -46.4 0 7 -1 88 497.571 5
Mid Mid (pH 6-8) 4.26 10.61 -22.17 1 7 0 85 498.579 5
Mid Mid (pH 6-8) 4.26 13.33 -35.56 1 7 0 89 498.579 5

Activity (Go SEA)

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