UCSF

ZINC26423559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 15 Yes

Popular Name: 5-hydroxy-2-(piperazin-1-ylmethyl)-4H-pyran-4-one dihydrochloride 5-hydroxy-2-(piperazin-1-ylmethy…

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Other Names:

MFCD11645197

MFCD16661096

Download: MOL2 SDF SMILES Flexibase

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) -1.13 1.33 -69.89 2 5 0 70 210.233 2 ↓
Hi High (pH 8-9.5) -1.13 -1.06 -52.73 1 5 -1 69 209.225 2 ↓
Mid Mid (pH 6-8) -1.13 -0.51 -48.7 3 5 1 70 211.241 2 ↓
Mid Mid (pH 6-8) -1.13 0.35 -80.25 2 5 0 73 210.233 2 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.