UCSF

ZINC13404771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 33 Yes

Popular Name: 6-methyl-4-oxo-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-furo[5,4-d]py 6-methyl-4-oxo-2-[[4-(p-tolyl)-5…

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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) 2.51 13.16 -66.05 1 10 -1 133 465.515 6 ↓
Mid Mid (pH 6-8) 2.97 10.68 -133.87 0 10 -2 136 464.507 6 ↓
Lo Low (pH 4.5-6) 2.51 13.41 -80.72 2 10 0 134 466.523 6 ↓
Lo Low (pH 4.5-6) -0.80 13.21 -77.05 2 10 0 135 466.523 6 ↓

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

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