UCSF

ZINC04256351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 18 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) 3.92 6.18 -45.33 1 4 -1 73 263.656 3
Hi High (pH 8-9.5) 3.92 5.71 -52.6 1 4 -1 73 263.656 3
Mid Mid (pH 6-8) 2.73 7.28 -38.87 0 4 -1 70 263.656 4
Mid Mid (pH 6-8) 2.73 6.25 -13.07 1 4 0 68 264.664 4

Activity (Go SEA)

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