UCSF

ZINC65528588

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: (9aS)-8-methyl-2-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin (9aS)-8-methyl-2-[[1-(3-pyridyl)…

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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) 1.15 5.7 -38.08 1 5 1 29 312.441 3 ↓
Hi High (pH 8-9.5) 1.15 3.29 -6.1 0 5 0 28 311.433 3 ↓
Lo Low (pH 4.5-6) 1.15 7.91 -93.99 2 5 2 30 313.449 3 ↓

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

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