UCSF

ZINC13254241

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 34 Yes

Popular Name: 2-[[(7S)-3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanylmethyl 2-[[(7S)-3-allyl-7-methyl-4-oxo-…

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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) 3.61 11.2 -64.17 1 9 -1 134 497.578 6 ↓
Hi High (pH 8-9.5) 4.07 8.74 -125.97 0 9 -2 137 496.57 6 ↓

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

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