UCSF

ZINC67491095

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: 2-[4-[(1-isopropylpyrrol-3-yl)methyl]piperazin-1-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin- 2-[4-[(1-isopropylpyrrol-3-yl)me…

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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) 2.77 11.52 -24.35 2 6 1 50 355.51 5 ↓
Hi High (pH 8-9.5) 2.77 11.23 -9.23 1 6 0 49 354.502 5 ↓
Mid Mid (pH 6-8) 2.77 13.73 -83.6 3 6 2 52 356.518 5 ↓

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

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