UCSF

ZINC27420016

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 25 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) 0.08 6.56 -105.37 2 6 0 82 345.374 4
Hi High (pH 8-9.5) 0.08 5.07 -69.01 1 6 -1 77 344.366 4
Mid Mid (pH 6-8) -2.66 5.61 -76.03 3 6 1 85 346.382 3

Activity (Go SEA)

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