UCSF

ZINC43913228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.48 6.8 -113.08 3 4 2 40 284.444 3
Hi High (pH 8-9.5) 2.48 3.33 -2.82 1 4 0 34 282.428 3
Hi High (pH 8-9.5) 2.48 5 -36.44 2 4 1 38 283.436 3
Hi High (pH 8-9.5) 2.48 5.66 -28.46 2 4 1 35 283.436 3

Activity (Go SEA)

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