In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 16 | Yes |
Popular Name: N-[2-[(2S)-2-ethylpyrrolidin-1-yl]ethyl]cyclohexanamine N-[2-[(2S)-2-ethylpyrrolidin-1-y…
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) | 3.30 | 8 | -112.45 | 3 | 2 | 2 | 21 | 226.408 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 6.82 | -30.52 | 2 | 2 | 1 | 16 | 225.4 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 5.7 | -36.57 | 2 | 2 | 1 | 20 | 225.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.