UCSF

ZINC43259566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 2.33 3.97 -43.15 3 2 1 31 290.25 4
Hi High (pH 8-9.5) 2.33 5.28 -31.65 3 2 1 30 290.25 4
Hi High (pH 8-9.5) 2.33 3.65 -1.52 2 2 0 29 289.242 4
Lo Low (pH 4.5-6) 2.33 5.6 -111.67 4 2 2 32 291.258 4

Activity (Go SEA)

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