UCSF

ZINC70514454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.39 3.59 -30.63 3 4 1 49 295.447 11
Hi High (pH 8-9.5) 2.39 3.3 -3.38 2 4 0 45 294.439 11
Lo Low (pH 4.5-6) 2.39 4.81 -27.42 3 4 1 46 295.447 11
Lo Low (pH 4.5-6) 2.39 5.56 -102.38 4 4 2 51 296.455 11

Activity (Go SEA)

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