UCSF

ZINC43912790

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 0.80 2.31 -28.6 2 4 1 38 219.349 10
Hi High (pH 8-9.5) 0.80 2.21 -2.13 1 4 0 34 218.341 10
Lo Low (pH 4.5-6) 0.80 4.07 -100.55 3 4 2 40 220.357 10

Activity (Go SEA)

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