UCSF

ZINC52861007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 Yes

Popular Name: (4-piperazin-1-yl-3-quinolyl)methanamine (4-piperazin-1-yl-3-quinolyl)met…

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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) 0.74 4.27 -190.28 6 4 3 62 245.35 2 ↓
Hi High (pH 8-9.5) 0.74 2.89 -104.81 5 4 2 57 244.342 2 ↓
Hi High (pH 8-9.5) 0.74 2.45 -47.13 4 4 1 56 243.334 2 ↓
Mid Mid (pH 6-8) 0.74 3.84 -118.45 5 4 2 60 244.342 2 ↓

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Rings

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

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