| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2014 | 30 | Yes |
Popular Name: (S)-N-((1S,2S)-1,2-diphenyl-2-((S)-pyrrolidine-2-carboxamido)ethyl)pyrrolidine-2-carboxamide (S)-N-((1S,2S)-1,2-diphenyl-2-((…
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CAS Number: 869964-66-9
| 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) | 2.04 | 7.95 | -85.64 | 6 | 6 | 2 | 91 | 408.546 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 6.71 | -44.2 | 5 | 6 | 1 | 87 | 407.538 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.46 | -15.63 | 4 | 6 | 0 | 82 | 406.53 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.