UCSF

ZINC18212815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 26 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) 6.48 7.84 -6.9 2 5 0 78 469.147 1
Ref Reference (pH 7) 5.99 7.35 -36.3 1 5 -1 77 468.139 2
Hi High (pH 8-9.5) 6.94 5.89 -35.68 1 5 -1 81 468.139 1
Mid Mid (pH 6-8) 7.39 4.33 -94.65 0 5 -2 84 467.131 1
Mid Mid (pH 6-8) 6.45 5.41 -92.31 0 5 -2 80 467.131 2
Mid Mid (pH 6-8) 6.94 6.3 -38.4 1 5 -1 81 468.139 1

Activity (Go SEA)

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