UCSF

ZINC43258912

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.87 5.72 -43.01 3 2 1 31 332.331 4
Hi High (pH 8-9.5) 3.87 7.1 -34.35 3 2 1 30 332.331 4
Hi High (pH 8-9.5) 3.87 5.41 -1.74 2 2 0 29 331.323 4
Lo Low (pH 4.5-6) 3.87 7.41 -116.15 4 2 2 32 333.339 4

Activity (Go SEA)

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