UCSF

ZINC43253056

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 1.17 0.37 -41.1 4 3 1 51 249.787 6
Hi High (pH 8-9.5) 1.17 1.49 -29.64 4 3 1 51 249.787 6
Hi High (pH 8-9.5) 1.17 0.01 -2.71 3 3 0 49 248.779 6

Activity (Go SEA)

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