UCSF

ZINC35367876

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-(5-amino-2-pyridyl)piperazin-1-yl]tetrahydrofuran-2-one (3S)-3-[4-(5-amino-2-pyridyl)pip…

Find On: PubMed — Wikipedia — Google

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) -0.48 3.16 -33.91 3 6 1 73 263.321 2 ↓
Mid Mid (pH 6-8) -0.48 2.85 -12.83 2 6 0 72 262.313 2 ↓
Lo Low (pH 4.5-6) -0.48 5.34 -95.43 4 6 2 74 264.329 2 ↓
Lo Low (pH 4.5-6) -0.48 5.03 -44.06 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.