In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: N-[(1R)-1,4-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]cyclopropanamine N-[(1R)-1,4-dimethyl-1-(4,5,6,7-…
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) | 4.32 | 9.23 | -30.67 | 2 | 2 | 1 | 29 | 293.5 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 8.27 | -3.61 | 1 | 2 | 0 | 25 | 292.492 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.32 | 9.49 | -91.55 | 3 | 2 | 2 | 31 | 294.508 | 6 | ↓ |