In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-N-(1-methyl-4-piperidyl)ethane-1,2-diamine (1S)-1-(5-chloro-2-thienyl)-N-me…
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) | 1.85 | 4.64 | -95.01 | 4 | 3 | 2 | 35 | 289.876 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 4.71 | -33.06 | 3 | 3 | 1 | 34 | 288.868 | 4 | ↓ |