UCSF

ZINC05689449

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 23 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) 2.20 7.51 -17.07 1 7 0 101 326.337 4
Hi High (pH 8-9.5) 2.27 5.87 -42.86 0 7 -1 107 325.329 4
Lo Low (pH 4.5-6) 2.20 7.77 -48.9 2 7 1 102 327.345 4

Activity (Go SEA)

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