UCSF

ZINC19453713

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

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

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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) 2.35 4.76 -33.23 2 6 1 63 369.489 4 ↓
Hi High (pH 8-9.5) 2.35 4.41 -10.51 1 6 0 62 368.481 4 ↓
Mid Mid (pH 6-8) 2.35 7.14 -116.41 3 6 2 64 370.497 4 ↓
Lo Low (pH 4.5-6) 2.35 6.79 -52.89 2 6 1 63 369.489 4 ↓

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Rings

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

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