UCSF

ZINC19843045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 25 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) 4.21 6.46 -10.4 2 5 0 78 373.796 1
Hi High (pH 8-9.5) 4.66 5.33 -48.57 1 5 -1 81 372.788 1
Hi High (pH 8-9.5) 5.12 2.7 -104.35 0 5 -2 84 371.78 1
Hi High (pH 8-9.5) 5.12 3.2 -102.27 0 5 -2 84 371.78 1
Mid Mid (pH 6-8) 4.66 4.52 -40.08 1 5 -1 81 372.788 1
Mid Mid (pH 6-8) 4.66 5.17 -44.92 1 5 -1 81 372.788 1
Mid Mid (pH 6-8) 4.66 4.83 -40.49 1 5 -1 81 372.788 1

Activity (Go SEA)

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