UCSF

ZINC54765681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 Yes

Popular Name: (1R)-N,N-dimethyl-N'-(pyrazin-2-ylmethyl)-1-(2-thienyl)ethane-1,2-diamine (1R)-N,N-dimethyl-N'-(pyrazin-2-…

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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) 1.54 4.22 -38.01 2 4 1 42 263.39 6 ↓
Mid Mid (pH 6-8) 1.54 1.95 -5.15 1 4 0 41 262.382 6 ↓
Lo Low (pH 4.5-6) 1.54 5.51 -114.9 3 4 2 47 264.398 6 ↓

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

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