In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 19 | Yes |
Popular Name: (2S)-N2-(7-chloro-1,3-benzothiazol-2-yl)-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-(7-chloro-1,3-benzothiaz…
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) | 4.09 | 9.26 | -39.56 | 2 | 3 | 1 | 29 | 298.863 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 7.06 | -5.95 | 1 | 3 | 0 | 28 | 297.855 | 6 | ↓ |