UCSF

ZINC69878146

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: (2S)-1-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-morpholino-propan-2-ol (2S)-1-(2-ethyl-6,8-dihydro-5H-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) -0.03 -0.12 -8.56 1 6 0 62 306.41 5 ↓
Mid Mid (pH 6-8) -0.03 2.15 -46.48 2 6 1 63 307.418 5 ↓
Lo Low (pH 4.5-6) -0.03 4.51 -116.84 3 6 2 64 308.426 5 ↓
Lo Low (pH 4.5-6) -0.03 2.24 -43.97 2 6 1 63 307.418 5 ↓

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Rings

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

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