| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 18 | No |
Popular Name: 3-((2S,4S)-4-Mercaptopyrrolidine-2-carboxamido)benzoic acid hydrochloride 3-((2S,4S)-4-Mercaptopyrrolidine…
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CAS Number: 219909-83-8
| 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) | 1.22 | 3.9 | -100.59 | 3 | 5 | -1 | 86 | 265.314 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 2.67 | -120.62 | 2 | 5 | -2 | 81 | 264.306 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 3.42 | -88.34 | 3 | 5 | 0 | 86 | 266.322 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
