In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 13 | Yes |
Popular Name: (1R)-1-cyclopropyl-2-[(2S)-2-ethylpyrrolidin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[(2S)-2-eth…
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) | 1.34 | 5.62 | -108.68 | 4 | 2 | 2 | 32 | 184.327 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.34 | 3.8 | -40.76 | 3 | 2 | 1 | 31 | 183.319 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 5.9 | -27.26 | 3 | 2 | 1 | 30 | 183.319 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.