In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: 3-[(1S)-1-aminoethyl]-N-[(2R)-3-methoxy-2-methyl-propyl]benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-[(2R)-3-…
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) | -0.42 | 0.83 | -54.62 | 4 | 5 | 1 | 83 | 287.405 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.42 | 0.5 | -10.17 | 3 | 5 | 0 | 81 | 286.397 | 7 | ↓ |