UCSF

ZINC40935307

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 22 Yes

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) -2.46 -1.93 -61.24 5 9 1 138 318.281 6
Hi High (pH 8-9.5) -2.00 -4.66 -87.61 4 9 0 141 317.273 6
Hi High (pH 8-9.5) -2.00 -5.05 -58.05 3 9 -1 140 316.265 6

Activity (Go SEA)

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