UCSF

ZINC69508187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 Yes

Popular Name: N,N-dimethyl-3-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]pyridin-2- N,N-dimethyl-3-[[[(6S)-4,5,6,7-t…

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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) 0.94 5.84 -57.15 3 6 1 63 287.391 5 ↓
Hi High (pH 8-9.5) 0.94 4.62 -9.61 2 6 0 58 286.383 5 ↓
Mid Mid (pH 6-8) 0.94 6.32 -114.14 4 6 2 64 288.399 5 ↓
Lo Low (pH 4.5-6) 0.94 6.49 -170.51 5 6 3 65 289.407 5 ↓

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

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