In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 14 | No |
Popular Name: 2-Piperidinecarboxylicacid, 4-(phosphonomethyl)-, (2R,4S)-rel- 2-Piperidinecarboxylicacid, 4-(p…
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CAS Number: 110347-85-8
2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, cis- [CAS]; CPD000468737; SAM001247104
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) | -2.61 | 1.09 | -59.81 | 3 | 6 | -1 | 117 | 222.157 | 3 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101892; .5 water | NIH Clinical Collection via PubChem |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101892; SALT: .5 water | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.