UCSF

ZINC42779783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.46 5.85 -107.38 3 3 2 24 245.455 9
Hi High (pH 8-9.5) 2.46 5.69 -33.67 2 3 1 20 244.447 9
Hi High (pH 8-9.5) 2.47 4.45 -34.32 2 3 1 23 244.447 9
Mid Mid (pH 6-8) 2.46 6.74 -89.12 3 3 2 24 245.455 9
Lo Low (pH 4.5-6) 2.46 8.31 -200.92 4 3 3 25 246.463 9

Activity (Go SEA)

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