UCSF

ZINC38138287

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-[[4-[3-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic (2R)-2-[[4-[3-(2,4-diaminopyrrol…

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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) -0.89 10.12 -124.95 6 11 -1 193 439.452 10 ↓
Mid Mid (pH 6-8) -0.89 9.72 -125.93 5 11 -2 192 438.444 10 ↓
Lo Low (pH 4.5-6) -0.89 8.14 -78.9 7 11 0 191 440.46 10 ↓

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

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