UCSF

ZINC43897629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.37 5.2 -37.77 2 4 1 38 279.404 5
Hi High (pH 8-9.5) 2.37 2.94 -3.94 1 4 0 34 278.396 5
Lo Low (pH 4.5-6) 2.37 6.7 -117.49 3 4 2 40 280.412 5

Activity (Go SEA)

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