In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 15 | Yes |
Popular Name: (1R,2S)-N1-(2-methoxyethyl)-N1-[(1S)-1-methylpropyl]cyclopentane-1,2-diamine (1R,2S)-N1-(2-methoxyethyl)-N1-[…
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) | 1.29 | 3.08 | -38.01 | 3 | 3 | 1 | 40 | 215.361 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.6 | -0.3 | 2 | 3 | 0 | 38 | 214.353 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 4.7 | -25.13 | 3 | 3 | 1 | 40 | 215.361 | 6 | ↓ |