UCSF

ZINC39296725

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 0.64 3.86 -19.19 3 5 0 89 280.349 4
Hi High (pH 8-9.5) 1.38 2.77 -50.22 3 5 -1 95 279.341 3

Activity (Go SEA)

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