UCSF

ZINC43253850

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) 1.24 0.34 -48.79 5 4 1 74 290.84 6
Hi High (pH 8-9.5) 1.24 0.04 -6.4 4 4 0 72 289.832 6
Hi High (pH 8-9.5) 1.24 1.58 -32.04 5 4 1 74 290.84 6
Lo Low (pH 4.5-6) 1.24 1.9 -112.69 6 4 2 75 291.848 6

Activity (Go SEA)

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