In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | Yes |
Popular Name: 4-(3-aminoprop-1-ynyl)-N-(4-methoxybutyl)-3-methyl-benzenesulfonamide 4-(3-aminoprop-1-ynyl)-N-(4-meth…
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) | 0.91 | 2.19 | -57.28 | 4 | 5 | 1 | 83 | 311.427 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 1.78 | -11.35 | 3 | 5 | 0 | 81 | 310.419 | 7 | ↓ |