UCSF

ZINC43894164

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.00 7.76 -122.48 3 3 2 34 249.402 6
Hi High (pH 8-9.5) 2.00 4.35 -2.89 1 3 0 28 247.386 6
Hi High (pH 8-9.5) 2.00 6.64 -36.55 2 3 1 29 248.394 6
Hi High (pH 8-9.5) 2.00 5.48 -42.92 2 3 1 33 248.394 6

Activity (Go SEA)

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