In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 28 | Yes |
Popular Name: [(2S)-2-hydroxy-3-[isopropyl-[(oxoBLAHyl)methyl]amino]propyl] [(2S)-2-hydroxy-3-[isopropyl-[(o…
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) | 2.33 | 8.51 | -55.25 | 3 | 7 | 1 | 97 | 408.544 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 5.71 | -51.93 | 2 | 7 | 0 | 100 | 407.536 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 6.53 | -16.53 | 2 | 7 | 0 | 96 | 407.536 | 10 | ↓ |