UCSF

ZINC69766206

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (1S)-N-methyl-1-pyrazin-2-yl-3-(3-thienyl)propan-1-amine (1S)-N-methyl-1-pyrazin-2-yl-3-(…

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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) 2.12 4.9 -46.84 2 3 1 42 234.348 5 ↓
Mid Mid (pH 6-8) 2.12 3.94 -5.99 1 3 0 38 233.34 5 ↓

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

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