UCSF

ZINC43896074

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) 2.77 7.2 -106.47 3 4 2 40 286.46 6
Hi High (pH 8-9.5) 2.77 5 -2.05 1 4 0 34 284.444 6
Hi High (pH 8-9.5) 2.77 6.4 -30.29 2 4 1 35 285.452 6
Mid Mid (pH 6-8) 2.77 5.63 -33.62 2 4 1 38 285.452 6

Activity (Go SEA)

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