UCSF

ZINC65329631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 33 Yes

Popular Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-isobutyl-6-methyl-furo[2,3-d]pyrimidin-4-o 5-[4-(1,3-benzodioxol-5-ylmethyl…

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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) 1.59 6.73 -24.2 0 9 0 90 452.511 5 ↓
Mid Mid (pH 6-8) 1.59 9.36 -58.4 1 9 1 91 453.519 5 ↓

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Rings

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

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