In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 18 | Yes |
Popular Name: N-[(2S)-3-amino-2-hydroxy-propyl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(2S)-3-amino-2-hydroxy-propyl…
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) | -1.46 | -2.99 | -56.73 | 5 | 7 | 1 | 114 | 277.37 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.46 | -3.57 | -12.28 | 4 | 7 | 0 | 112 | 276.362 | 6 | ↓ |