UCSF

ZINC13680766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 Yes

Popular Name: 2-amino-5-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-6-ethyl-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one 2-amino-5-[3,5-bis(trifluorometh…

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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) 4.21 9.13 -12.69 4 5 0 88 422.354 5 ↓
Hi High (pH 8-9.5) 4.67 6.78 -51.55 3 5 -1 91 421.346 5 ↓

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Rings

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

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