UCSF

ZINC43463528

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 24 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) 4.32 6.37 -9.74 2 4 0 57 346.234 4
Hi High (pH 8-9.5) 4.32 6.3 -36.28 1 4 -1 56 345.226 4
Hi High (pH 8-9.5) 4.32 6.27 -35.07 1 4 -1 56 345.226 4
Mid Mid (pH 6-8) 4.32 6.4 -7.88 2 4 0 57 346.234 4
Mid Mid (pH 6-8) 4.32 6.44 -7.05 2 4 0 57 346.234 4

Activity (Go SEA)

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