UCSF

ZINC22931879

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-N-(3-pyridylmethyl)methana 1-[(2S)-1-ethylpyrrolidin-2-yl]-…

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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) 3.09 9.65 -49.07 1 5 1 39 398.571 10 ↓
Hi High (pH 8-9.5) 3.08 8.95 -8.45 0 5 0 38 397.563 10 ↓
Mid Mid (pH 6-8) 3.09 11.3 -31.21 1 5 1 39 398.571 10 ↓
Lo Low (pH 4.5-6) 3.09 10.02 -106.4 2 5 2 40 399.579 10 ↓
Lo Low (pH 4.5-6) 3.09 11.97 -125.78 2 5 2 40 399.579 10 ↓

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

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