UCSF

ZINC04582476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 21 No

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) 5.62 8.93 -6.02 1 2 0 33 295.769 2
Hi High (pH 8-9.5) 5.62 8.81 -38.05 0 2 -1 35 294.761 2
Mid Mid (pH 6-8) 5.63 9.66 -45.2 0 2 -1 35 294.761 2
Lo Low (pH 4.5-6) 5.63 9.49 -32.71 2 2 1 34 296.777 2
Lo Low (pH 4.5-6) 5.62 8.43 -37.76 2 2 1 34 296.777 2

Activity (Go SEA)

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