UCSF

ZINC36776305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) -0.48 4.22 -9.49 3 6 0 88 257.297 4
Lo Low (pH 4.5-6) -0.48 5.13 -89.58 5 6 2 90 259.313 4
Lo Low (pH 4.5-6) -0.48 4.68 -36.88 4 6 1 89 258.305 4
Lo Low (pH 4.5-6) -0.48 4.68 -34.3 4 6 1 89 258.305 4

Activity (Go SEA)

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