UCSF

ZINC43894067

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) 3.01 8.75 -123.34 3 3 2 34 277.456 5
Hi High (pH 8-9.5) 3.01 5.85 -3.19 1 3 0 28 275.44 5
Hi High (pH 8-9.5) 3.01 6.66 -39.96 2 3 1 33 276.448 5
Hi High (pH 8-9.5) 3.01 7.88 -42.17 2 3 1 29 276.448 5

Activity (Go SEA)

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