UCSF

ZINC69489308

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]e 2-(4-pyrimidin-2-ylpiperazin-1-y…

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Download: MOL2 SDF SMILES Flexibase

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) 0.37 6.2 -60.67 3 8 1 79 343.459 6 ↓
Hi High (pH 8-9.5) 0.37 4.99 -11.08 2 8 0 74 342.451 6 ↓
Mid Mid (pH 6-8) 0.37 6.36 -104.67 4 8 2 80 344.467 6 ↓
Lo Low (pH 4.5-6) 0.37 8.57 -201.14 5 8 3 81 345.475 6 ↓

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

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