UCSF

ZINC62154044

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 33 No

Popular Name: (2R)-2-[[4-[(1S)-4-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-1-methylsulfanyl-butyl]benzoyl]amino]pentan (2R)-2-[[4-[(1S)-4-(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) -1.15 8.89 -123.5 6 11 -2 207 475.527 12 ↓
Lo Low (pH 4.5-6) -1.15 6.91 -66.98 7 11 -1 204 476.535 12 ↓

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

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