In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | Yes |
Popular Name: (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenyl-1-(2-thienyl)methanamine (1S)-N-[[(1S)-cyclohex-3-en-1-yl…
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) | 4.97 | 11.27 | -38.13 | 2 | 1 | 1 | 17 | 284.448 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.97 | 10.16 | -3.01 | 1 | 1 | 0 | 12 | 283.44 | 5 | ↓ |