UCSF

ZINC65496969

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: (3aR)-5-isopropyl-N-[2-(1H-tetrazol-5-yl)phenyl]-3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-2-ca (3aR)-5-isopropyl-N-[2-(1H-tetra…

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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) 1.33 2.55 -39.41 2 9 -1 100 353.41 4 ↓
Mid Mid (pH 6-8) 1.33 4.86 -57.05 3 9 0 102 354.418 4 ↓
Lo Low (pH 4.5-6) 1.33 4.95 -39.86 4 9 1 103 355.426 4 ↓

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

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