| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2012 | 27 | Yes |
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CAS Number: 122647-32-9
(+/-)-N-[4-(4-[Ethyl(n-heptyl)amino]-1-hydroxybutyl)phenyl]methanesulfonamide hemifumarate salt
(±)-N-[4-(4-[Ethyl(n-heptyl)amino]-1-hydroxybutyl)phenyl]methanesulfonamide hemifumarate salt
| 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) | 4.10 | 7.27 | -62.71 | 2 | 5 | 0 | 73 | 396.597 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 7.12 | -47.16 | 3 | 5 | 1 | 71 | 397.605 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.