UCSF

ZINC95079540

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 32 Yes

Popular Name: ethyl methyl-2,6-bis(2-aminoethoxy)methyl-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate ethyl methyl-2,6-bis(2-aminoetho…

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CAS Number: 721958-74-3

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Vendors

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) 0.62 6.79 -146.41 6 9 1 143 468.958 13 ↓
Hi High (pH 8-9.5) 0.62 6.34 -93.38 5 9 0 142 467.95 13 ↓
Hi High (pH 8-9.5) 0.62 6.31 -95.29 5 9 0 142 467.95 13 ↓

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

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