In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 18 | Yes |
Popular Name: 1-[(2S)-2-hydroxy-3-methylamino-propyl]-5-methyl-indoline-2,3-dione 1-[(2S)-2-hydroxy-3-methylamino-…
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) | 0.46 | 2.6 | -53.02 | 3 | 5 | 1 | 76 | 249.29 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.46 | 1.02 | -9.48 | 2 | 5 | 0 | 71 | 248.282 | 4 | ↓ |