In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 16 | Yes |
Popular Name: N-[(1R)-1-cyclopropyl-2-[(2S)-2-ethylpyrrolidin-1-yl]ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-[(2S)-2-…
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) | 3.13 | 8.5 | -111.42 | 3 | 2 | 2 | 21 | 226.408 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 6.5 | -31.42 | 2 | 2 | 1 | 20 | 225.4 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 7.32 | -27.99 | 2 | 2 | 1 | 16 | 225.4 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.