UCSF

ZINC35024403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) -0.06 -0.75 -51.25 7 10 0 186 478.885 2
Hi High (pH 8-9.5) -0.06 -1.86 -104.68 5 10 -2 187 476.869 2
Hi High (pH 8-9.5) -0.64 1.17 -94.04 4 10 0 184 476.869 2
Mid Mid (pH 6-8) -0.06 -2.85 -51.56 6 10 -1 184 477.877 2
Mid Mid (pH 6-8) -0.64 2.12 -68.41 6 10 0 182 478.885 2
Mid Mid (pH 6-8) -0.64 3.12 -82.91 5 10 0 185 477.877 2
Mid Mid (pH 6-8) 0.39 -0.06 -124.83 6 10 -1 188 477.877 2
Mid Mid (pH 6-8) 0.39 -2.36 -133.13 5 10 -2 187 476.869 2
Lo Low (pH 4.5-6) -0.64 -0.23 -45.51 7 10 0 180 479.893 2

Activity (Go SEA)

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