In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 31 | Yes |
Popular Name: 5-[4-[(benzylamino)methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide 5-[4-[(benzylamino)methyl]phenyl…
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) | 4.26 | 10.47 | -99.73 | 4 | 5 | 2 | 67 | 457.665 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 10.1 | -83.66 | 3 | 5 | 1 | 69 | 456.657 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 8.74 | -38.96 | 2 | 5 | 0 | 65 | 455.649 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 9.12 | -44.56 | 3 | 5 | 1 | 63 | 456.657 | 10 | ↓ |