| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 28 | Yes |
Popular Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]-N-methyl-isoquinoline-5-sulfonamide N-[2-[[(E)-3-(4-chlorophenyl)all…
| 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) | 3.78 | 8.48 | -57.01 | 2 | 5 | 1 | 67 | 416.954 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.12 | -13 | 1 | 5 | 0 | 62 | 415.946 | 8 | ↓ |
