In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 20 | Yes |
Popular Name: (1S,3S)-3-methyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1S,3S)-3-methyl-N-[(5-phenyl-2-…
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) | 5.23 | 10.88 | -39.93 | 2 | 1 | 1 | 17 | 286.464 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.23 | 9.7 | -2.93 | 1 | 1 | 0 | 12 | 285.456 | 4 | ↓ |