UCSF

ZINC43261532

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.33 9.05 -118.92 4 2 2 32 347.366 5
Hi High (pH 8-9.5) 4.33 6.73 -1.32 2 2 0 29 345.35 5
Mid Mid (pH 6-8) 4.33 8.6 -31.98 3 2 1 30 346.358 5
Mid Mid (pH 6-8) 4.33 7.08 -37.73 3 2 1 31 346.358 5

Activity (Go SEA)

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