UCSF

ZINC33690943

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 38 Yes

Popular Name: (2-benzo[d]1,3-dioxolen-5-yl-3-(4-methoxyphenyl)-1-oxo(4-2,3,4-trihydroisoquinolyl))-N-(4-pyridylmethyl)formamide (2-benzo[d]1,3-dioxolen-5-yl-3-(…

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CAS Number: 1024316-59-3

Other Names:

MFCD03839800

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) 3.60 10.2 -20.14 1 8 0 90 507.546 6 ↓
Lo Low (pH 4.5-6) 3.60 10.64 -58.43 2 8 1 91 508.554 6 ↓

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