UCSF

ZINC45373437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 35 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) 7.61 16.05 -26.05 2 6 1 66 472.609 9
Mid Mid (pH 6-8) 7.61 16.11 -37.94 2 6 1 69 472.609 9
Mid Mid (pH 6-8) 7.61 16.28 -18.13 1 6 0 65 471.601 9
Lo Low (pH 4.5-6) 7.61 16.29 -83.55 3 6 2 71 473.617 9

Activity (Go SEA)

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