UCSF

ZINC45687738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.37 5.7 -101.01 4 4 2 45 281.444 9
Hi High (pH 8-9.5) 0.37 4.98 -30.34 3 4 1 43 280.436 9
Hi High (pH 8-9.5) 0.37 5.04 -33.2 3 4 1 43 280.436 9
Hi High (pH 8-9.5) 0.37 3.23 -39.7 3 4 1 43 280.436 9
Hi High (pH 8-9.5) 0.37 2.84 -3.23 2 4 0 42 279.428 9
Lo Low (pH 4.5-6) 0.37 7.58 -227.07 5 4 3 46 282.452 9

Activity (Go SEA)

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