UCSF

ZINC00230457

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 3-anilino-3-oxopropanoic acid 3-anilino-3-oxopropanoic acid

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CAS Number: 15580-32-2

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) 0.63 4.97 -53.68 1 4 -1 69 178.167 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 130 KeyOrganics

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