In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 18 | Yes |
Popular Name: 4-piperidinemethanamine, 1-[(3-chlorophenyl)methyl]-N-ethyl- 4-piperidinemethanamine, 1-[(3-c…
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) | 2.98 | 9.51 | -100.69 | 3 | 2 | 2 | 21 | 268.832 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 7.27 | -38.59 | 2 | 2 | 1 | 20 | 267.824 | 5 | ↓ |