UCSF

ZINC58304928

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 19 Yes

Popular Name: 2-(5-bromo-2-thienyl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine 2-(5-bromo-2-thienyl)-N-[[(6S)-4…

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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) 2.67 6.55 -61.15 3 4 1 46 342.286 5 ↓
Hi High (pH 8-9.5) 2.67 5.36 -7.53 2 4 0 42 341.278 5 ↓
Mid Mid (pH 6-8) 2.67 6.71 -105.55 4 4 2 48 343.294 5 ↓

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

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