UCSF

ZINC57536040

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 0.80 2.51 -12.89 2 6 0 79 279.34 2
Hi High (pH 8-9.5) 0.98 -0.13 -44.71 1 6 -1 85 278.332 2

Activity (Go SEA)

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