UCSF

ZINC65527331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 No

Popular Name: (3aR)-5-methyl-N-[2-(1H-triazol-5-ylsulfanyl)ethyl]-3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-2 (3aR)-5-methyl-N-[2-(1H-triazol-…

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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) -0.23 1.18 -44.19 4 8 1 90 310.407 5 ↓
Hi High (pH 8-9.5) -0.23 -1.14 -38.97 2 8 -1 87 308.391 5 ↓
Mid Mid (pH 6-8) -0.23 -1.14 -9.24 3 8 0 89 309.399 5 ↓

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

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