UCSF

ZINC20889523

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 Yes

Popular Name: 4-[5-[[4-hydroxy-2-(4-methyl-1-piperidyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-furyl 4-[5-[[4-hydroxy-2-(4-methyl-1-p…

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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) 4.13 11.97 -55.58 2 7 1 90 430.532 4 ↓
Hi High (pH 8-9.5) 4.13 9.64 -19.85 1 7 0 89 429.524 4 ↓
Hi High (pH 8-9.5) 4.59 11.24 -62.16 1 7 0 93 429.524 4 ↓

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

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