In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 13 | No |
Popular Name: 3-[(2S)-2-hydroxy-3-methylamino-propyl]thiazolidine-2,4-dione 3-[(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) | -0.94 | -0.66 | -38.84 | 3 | 5 | 1 | 74 | 205.259 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.94 | -2.16 | -7.24 | 2 | 5 | 0 | 70 | 204.251 | 4 | ↓ |