UCSF

ZINC33562330

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 36 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) 8.63 17.92 -25.59 2 5 1 57 484.664 9
Mid Mid (pH 6-8) 8.63 17.63 -20.07 1 5 0 56 483.656 9
Mid Mid (pH 6-8) 8.63 18.17 -46.99 2 5 1 60 484.664 9
Lo Low (pH 4.5-6) 8.63 18.46 -93.49 3 5 2 61 485.672 9

Activity (Go SEA)

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