In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 23 | Yes |
Popular Name: (1S)-N'-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-N'-(1,3-benzothiazol-2-yl)-…
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) | 4.00 | 9.24 | -47.65 | 2 | 4 | 1 | 39 | 328.461 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.00 | 6.79 | -8.1 | 1 | 4 | 0 | 37 | 327.453 | 6 | ↓ |