In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 16 | Yes |
Popular Name: N-(cyclopropylmethyl)-2-[(4S)-4-ethylazepan-1-yl]ethanamine N-(cyclopropylmethyl)-2-[(4S)-4-…
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) | 2.75 | 8.75 | -114.59 | 3 | 2 | 2 | 21 | 226.408 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 7.39 | -32.03 | 2 | 2 | 1 | 16 | 225.4 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 6.67 | -37.83 | 2 | 2 | 1 | 20 | 225.4 | 6 | ↓ |