UCSF

ZINC22931773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 Yes

Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine 1-[(2R)-1-ethylpyrrolidin-2-yl]-…

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Vendors

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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) 2.33 9.79 -38.17 1 6 1 48 400.543 10 ↓
Hi High (pH 8-9.5) 2.33 7.63 -7.67 0 6 0 47 399.535 10 ↓
Mid Mid (pH 6-8) 2.33 8.71 -37.14 1 6 1 48 400.543 10 ↓
Lo Low (pH 4.5-6) 2.33 9.18 -93.05 2 6 2 50 401.551 10 ↓

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

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