UCSF

ZINC63262617

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 25 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-[4-[ethyl(isopropyl)amino]phenyl]acetamide 2-[(4-amino-6-oxo-5H-pyrimidin-2…

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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) 1.49 5.04 -32.44 4 7 0 101 362.479 7 ↓
Hi High (pH 8-9.5) 1.49 4.81 -35.66 2 7 -1 98 360.463 7 ↓
Mid Mid (pH 6-8) 1.49 4.75 -18.25 3 7 0 100 361.471 7 ↓
Lo Low (pH 4.5-6) 1.49 5.46 -62.26 5 7 0 103 363.487 7 ↓

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

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