UCSF

ZINC19527130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 29 Yes

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

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Vendors

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) 2.65 8.69 -39.01 1 5 1 33 395.571 8 ↓
Hi High (pH 8-9.5) 2.65 8.85 -6.34 0 5 0 32 394.563 8 ↓
Mid Mid (pH 6-8) 2.65 10.27 -33.65 1 5 1 33 395.571 8 ↓
Lo Low (pH 4.5-6) 2.65 10.7 -95.14 2 5 2 34 396.579 8 ↓

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

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