UCSF

ZINC35368008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 Yes

Popular Name: (3S)-3-[4-(3-amino-2-pyridyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(3-amino-2-pyridyl)pip…

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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) -0.70 3.51 -34.3 3 6 1 73 263.321 2 ↓
Mid Mid (pH 6-8) -0.70 3.04 -11.04 2 6 0 72 262.313 2 ↓
Lo Low (pH 4.5-6) -0.70 5.68 -94.3 4 6 2 74 264.329 2 ↓
Lo Low (pH 4.5-6) -0.70 5.21 -41.06 3 6 1 73 263.321 2 ↓

Activity (Go SEA)

Rings

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

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