UCSF

ZINC19527218

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 Yes

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(4-pyridylmethyl)methanamine N-[(2,3-dimethoxyphenyl)methyl]-…

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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) 2.47 8.19 -37.37 1 5 1 39 370.517 9 ↓
Hi High (pH 8-9.5) 2.47 5.87 -6.64 0 5 0 38 369.509 9 ↓
Mid Mid (pH 6-8) 2.47 8.34 -41.18 1 5 1 39 370.517 9 ↓
Lo Low (pH 4.5-6) 2.47 8.78 -101.34 2 5 2 40 371.525 9 ↓

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

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