UCSF

ZINC48412300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 1.71 3.96 -16.87 2 5 0 75 299.783 4
Hi High (pH 8-9.5) 2.17 1.68 -45.58 1 5 -1 78 298.775 4

Activity (Go SEA)

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