| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 24 | Yes |
Popular Name: (2S)-N-(2-cyanoethyl)-2-[cyclopentylmethyl(methyl)amino]-N-(4-fluorophenyl)propanamide (2S)-N-(2-cyanoethyl)-2-[cyclope…
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| 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) | 3.12 | 11.15 | -50.09 | 1 | 4 | 1 | 49 | 332.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 8.77 | -11.24 | 0 | 4 | 0 | 47 | 331.435 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
