UCSF

ZINC01402318

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 21 Yes

Popular Name: 3-(1,3-dihydro-2H-isoindol-2-yl)-3-(4-methoxyphenyl)-1-propanol 3-(1,3-dihydro-2H-isoindol-2-yl)…

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CAS Number: 860644-63-9

Other Names:

MFCD04124253

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) 2.60 -0.69 -39.45 2 3 1 33 284.379 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 108 KeyOrganics

Activity (Go SEA)

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