UCSF

ZINC58325231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 Yes

Popular Name: (1S)-N,N-dimethyl-1-phenyl-N'-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethane-1 (1S)-N,N-dimethyl-1-phenyl-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) 1.65 5.78 -52.18 3 5 1 50 300.43 6 ↓
Hi High (pH 8-9.5) 1.65 6.47 -45.92 3 5 1 46 300.43 6 ↓
Hi High (pH 8-9.5) 1.65 4.17 -6.94 2 5 0 45 299.422 6 ↓
Mid Mid (pH 6-8) 1.65 5.94 -97.92 4 5 2 51 301.438 6 ↓
Lo Low (pH 4.5-6) 1.65 7.93 -191.16 5 5 3 52 302.446 6 ↓

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

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