UCSF

ZINC71497591

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 Yes

Popular Name: [4-(4-allylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-pyridyl)methanone [4-(4-allylpiperazin-1-yl)-6,8-d…

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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) 0.33 9.8 -95.29 2 7 2 68 366.469 4 ↓
Mid Mid (pH 6-8) 0.33 7.11 -9.59 0 7 0 65 364.453 4 ↓
Mid Mid (pH 6-8) 0.33 9.36 -43.6 1 7 1 67 365.461 4 ↓
Mid Mid (pH 6-8) 0.33 7.55 -41.39 1 7 1 67 365.461 4 ↓

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Rings

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

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