UCSF

ZINC19453699

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 Yes

Popular Name: 2-isopropyl-7-[(4-methoxyphenyl)methyl]-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-isopropyl-7-[(4-methoxyphenyl)…

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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) 2.91 6.75 -31.98 1 6 1 52 383.516 5 ↓
Hi High (pH 8-9.5) 2.91 6.39 -8.5 0 6 0 51 382.508 5 ↓
Mid Mid (pH 6-8) 2.91 9.13 -117.3 2 6 2 53 384.524 5 ↓
Lo Low (pH 4.5-6) 2.91 8.77 -51.33 1 6 1 52 383.516 5 ↓

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Rings

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

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