UCSF

ZINC38138251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 32 Yes

Popular Name: (2S)-2-[[4-[2-[(5R)-2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl]ethylamino]benzoyl]amino (2S)-2-[[4-[2-[(5R)-2,4-diamino-…

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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) -2.11 6.2 -128.12 8 12 -1 212 442.456 10 ↓
Lo Low (pH 4.5-6) -2.11 4.22 -82.07 9 12 0 210 443.464 10 ↓

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

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