UCSF

ZINC70514453

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 4.91 -30.39 3 4 1 49 295.447 11
Hi High (pH 8-9.5) 2.39 2.55 -3.41 2 4 0 45 294.439 11
Lo Low (pH 4.5-6) 2.39 7.23 -99.4 4 4 2 51 296.455 11
Lo Low (pH 4.5-6) 2.39 6.22 -31.57 3 4 1 46 295.447 11

Activity (Go SEA)

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