UCSF

ZINC41631356

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 No

Popular Name: 2-[[4-(isopropylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one 2-[[4-(isopropylsulfanylmethyl)-…

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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) 3.83 5.44 -49.21 1 6 -1 95 373.483 6 ↓
Hi High (pH 8-9.5) 4.29 3.01 -109.62 0 6 -2 98 372.475 6 ↓
Hi High (pH 8-9.5) 3.83 4.98 -48.21 1 6 -1 95 373.483 6 ↓

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

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