In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 25 | Yes |
Popular Name: (2S)-N-benzyl-2-[(3S,4S)-3-(ethylcarbamoylamino)-4-methoxy-pyrrolidin-1-yl]propanamide (2S)-N-benzyl-2-[(3S,4S)-3-(ethy…
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) | 0.81 | 1.2 | -11.78 | 3 | 7 | 0 | 83 | 348.447 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 3.62 | -39.49 | 4 | 7 | 1 | 84 | 349.455 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.