UCSF

ZINC35687167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) -0.69 4.29 -50.07 1 7 0 77 299.371 5
Hi High (pH 8-9.5) -0.69 2.01 -50.77 0 7 -1 76 298.363 5

Activity (Go SEA)

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