UCSF

ZINC22913723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 Yes

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]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) 2.61 6.89 -46.86 1 6 1 56 404.538 9 ↓
Hi High (pH 8-9.5) 2.61 4.79 -11.66 0 6 0 54 403.53 9 ↓
Mid Mid (pH 6-8) 2.61 8.62 -30.91 1 6 1 56 404.538 9 ↓
Lo Low (pH 4.5-6) 2.61 9.06 -91.36 2 6 2 57 405.546 9 ↓

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

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