| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 28 | Yes |
Popular Name: N-[2-[[(E)-3-(4-bromophenyl)allyl]amino]ethyl]-N-methyl-isoquinoline-5-sulfonamide N-[2-[[(E)-3-(4-bromophenyl)ally…
| 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) | 3.91 | 8.59 | -57.17 | 2 | 5 | 1 | 67 | 461.405 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.91 | 7.23 | -12.98 | 1 | 5 | 0 | 62 | 460.397 | 8 | ↓ |
