In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 15 | Yes |
Popular Name: [1-[(5-chlorothiadiazol-4-yl)methyl]-4-piperidyl]methanamine [1-[(5-chlorothiadiazol-4-yl)met…
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) | 0.95 | 2.92 | -100.34 | 4 | 4 | 2 | 58 | 248.783 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 0.71 | -46.49 | 3 | 4 | 1 | 57 | 247.775 | 3 | ↓ |