In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 18 | Yes |
Popular Name: [1-[2-(4-propyl-1-piperidyl)ethyl]triazol-4-yl]methanamine [1-[2-(4-propyl-1-piperidyl)ethy…
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) | 1.70 | 5.07 | -101.37 | 4 | 5 | 2 | 63 | 253.394 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 4.67 | -44.68 | 3 | 5 | 1 | 61 | 252.386 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.