UCSF

ZINC26188922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 45 No

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) 2.80 17.52 -160.51 2 8 1 77 614.717 8
Mid Mid (pH 6-8) 2.80 15.2 -111.13 1 8 0 76 613.709 8
Mid Mid (pH 6-8) 2.80 15.21 -99.97 1 8 0 76 613.709 8
Mid Mid (pH 6-8) 2.80 12.88 -69.75 0 8 -1 75 612.701 8
Lo Low (pH 4.5-6) 0.06 16.57 -139.91 3 8 2 80 615.725 7
Lo Low (pH 4.5-6) 2.80 19.18 -119.27 3 8 2 75 615.725 8

Activity (Go SEA)

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