UCSF

ZINC43894561

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) 2.12 8.36 -102.72 3 3 2 34 249.402 6
Hi High (pH 8-9.5) 2.12 6.85 -27.47 2 3 1 33 248.394 6
Mid Mid (pH 6-8) 2.12 7.42 -88.45 3 3 2 34 249.402 6
Mid Mid (pH 6-8) 2.12 8.33 -29.7 2 3 1 29 248.394 6

Activity (Go SEA)

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