In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 20 | Yes |
Popular Name: (3R)-1-[1-(aminomethyl)cyclooctyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[1-(aminomethyl)cycloocty…
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) | 3.03 | 4.21 | -95.56 | 4 | 3 | 2 | 35 | 283.504 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 2.19 | -44.14 | 3 | 3 | 1 | 34 | 282.496 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.