In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S,3R)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1S,3R)-1-(hydroxymethyl)-3-…
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) | 1.20 | 3.18 | -34.99 | 3 | 4 | 1 | 57 | 255.382 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 1.97 | -10.33 | 2 | 4 | 0 | 53 | 254.374 | 4 | ↓ |