UCSF

ZINC67974506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: (3R)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-2-one (3R)-3-[[(3-fluorophenyl)methyla…

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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) 3.73 9.41 -46.03 3 4 1 57 385.503 7 ↓
Hi High (pH 8-9.5) 3.73 8.19 -8.03 2 4 0 53 384.495 7 ↓

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

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