UCSF

ZINC52537257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 14 Yes

Popular Name: methyl 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate methyl 6-chloro-1H-pyrrolo[3,2-c…

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CAS Number: 1140512-59-9

Other Names:

MFCD16627978

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) 2.16 3.73 -6.52 1 4 0 55 210.62 2 ↓
Lo Low (pH 4.5-6) 2.16 4.16 -34.47 2 4 1 56 211.628 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 220 - 222 KeyOrganics

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Rings

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

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