UCSF

ZINC63259007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 23 No

Popular Name: (5R,6S)-6-amino-5-[2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetyl]-1,3-dimethyl-hexahydropyrimi (5R,6S)-6-amino-5-[2-[(4-amino-6…

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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) -2.58 -1.81 -50.66 4 10 -1 158 339.357 4 ↓
Hi High (pH 8-9.5) -2.58 -1.76 -85.2 3 10 -2 155 338.349 4 ↓
Mid Mid (pH 6-8) -2.58 -1.5 -47.87 5 10 0 159 340.365 4 ↓
Lo Low (pH 4.5-6) -2.58 -1.08 -70.73 6 10 1 161 341.373 4 ↓

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

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