UCSF

ZINC05497947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 20 Yes

Popular Name: 3-Pyrrolidinemethanol, alpha-ethyl-1-methyl-alpha-phenyl-, propionate (ester), fumarate (1:1); AHR-1767; LS-137953; alpha-1-(1-Methyl-3-pyrrolidinyl)-1-phenylpropyl propionate fumarate; alpha-Ethyl-1-methyl-alpha-phenyl-3-pyrrolidinemethanol propionate fu 3-Pyrrolidinemethanol, alpha-eth…

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Other Names:

MFCD18430124

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) 3.81 9.85 -39.2 1 3 1 31 276.4 6 ↓
Hi High (pH 8-9.5) 3.81 7.61 -6.43 0 3 0 30 275.392 6 ↓

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

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