In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 16 | Yes |
Popular Name: (2S)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]heptan-2-amine (2S)-N-[(1R)-1-(5-chloro-2-thien…
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) | 5.53 | 9.22 | -36.33 | 2 | 1 | 1 | 17 | 260.854 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.53 | 8.11 | -1.16 | 1 | 1 | 0 | 12 | 259.846 | 7 | ↓ |