UCSF

ZINC38138253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 33 Yes

Popular Name: (2S)-2-[[4-[(1S)-3-[(5R)-2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl]-1-methyl-propyl]be (2S)-2-[[4-[(1S)-3-[(5R)-2,4-dia…

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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) -0.72 9.17 -125.05 7 11 -1 200 455.495 10 ↓
Mid Mid (pH 6-8) -0.72 8.71 -118.9 6 11 -2 199 454.487 10 ↓
Lo Low (pH 4.5-6) -0.72 7.19 -76.71 8 11 0 198 456.503 10 ↓

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

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