In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 17 | Yes |
Popular Name: 1-(3-chloro-4-fluoro-phenyl)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]methanamine 1-(3-chloro-4-fluoro-phenyl)-N-[…
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) | 4.07 | 9.06 | -51.38 | 2 | 1 | 1 | 17 | 254.756 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 7.69 | -3.7 | 1 | 1 | 0 | 12 | 253.748 | 4 | ↓ |