UCSF

ZINC58304917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 Yes

Popular Name: (1S)-N,N-dimethyl-1-(p-tolyl)-N'-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethan (1S)-N,N-dimethyl-1-(p-tolyl)-N'…

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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) 2.10 6.5 -52.56 3 5 1 50 314.457 6 ↓
Hi High (pH 8-9.5) 2.10 7.32 -43.95 3 5 1 46 314.457 6 ↓
Hi High (pH 8-9.5) 2.10 4.93 -6.34 2 5 0 45 313.449 6 ↓
Mid Mid (pH 6-8) 2.10 6.86 -101.03 4 5 2 51 315.465 6 ↓
Lo Low (pH 4.5-6) 2.10 8.61 -190.63 5 5 3 52 316.473 6 ↓

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

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