UCSF

ZINC57316798

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 20 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) 1.69 2.89 -6.71 1 4 0 42 288.269 4
Hi High (pH 8-9.5) 1.88 1.22 -38.05 0 4 -1 48 287.261 4
Lo Low (pH 4.5-6) 1.69 5.14 -42.54 2 4 1 43 289.277 4

Activity (Go SEA)

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