UCSF

ZINC69742117

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 Yes

Popular Name: 4-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]morpholine 4-[2-[(2R)-2-(4-fluorophenyl)pyr…

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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) 2.37 5.03 -3.87 0 3 0 16 278.371 4 ↓
Mid Mid (pH 6-8) 2.37 6.78 -39.68 1 3 1 17 279.379 4 ↓
Lo Low (pH 4.5-6) 2.37 7.28 -38.01 1 3 1 17 279.379 4 ↓
Lo Low (pH 4.5-6) 2.37 9.04 -118.47 2 3 2 18 280.387 4 ↓

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