UCSF

ZINC38138108

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-[[4-[(1R)-3-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)-1-methyl-propyl]benzoyl]amino]pentanedi (2R)-2-[[4-[(1R)-3-(2,4-diaminop…

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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) -0.34 10.49 -123.95 6 11 -1 193 453.479 10 ↓
Mid Mid (pH 6-8) -0.34 10.03 -125.74 5 11 -2 192 452.471 10 ↓
Lo Low (pH 4.5-6) -0.34 8.52 -76.42 7 11 0 191 454.487 10 ↓

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

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