UCSF

ZINC43976428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.80 7.63 -111.62 3 4 2 40 298.471 3
Hi High (pH 8-9.5) 2.80 4.71 -2.26 1 4 0 34 296.455 3
Hi High (pH 8-9.5) 2.80 5.5 -35.22 2 4 1 38 297.463 3
Hi High (pH 8-9.5) 2.80 6.23 -31.86 2 4 1 35 297.463 3

Activity (Go SEA)

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