In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (1R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,2-bis(2-thienyl)ethanamine (1R)-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) | 5.08 | 11.1 | -33.41 | 2 | 1 | 1 | 17 | 304.504 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.08 | 9.91 | -2.88 | 1 | 1 | 0 | 12 | 303.496 | 6 | ↓ |