UCSF

ZINC69995532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: 2-methoxy-N-[[(2R)-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-[[1-[(1S)-1…

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Download: MOL2 SDF SMILES Flexibase

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) 1.48 5.74 -39.29 2 5 1 47 295.451 9 ↓
Hi High (pH 8-9.5) 1.48 3.96 -7.05 1 5 0 42 294.443 9 ↓
Mid Mid (pH 6-8) 1.48 7.55 -110.28 3 5 2 48 296.459 9 ↓
Mid Mid (pH 6-8) 1.48 6.22 -27.64 2 5 1 44 295.451 9 ↓

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

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