In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 30 | Yes |
Popular Name: [(2S)-2-hydroxy-3-[isopentyl-[(oxoBLAHyl)methyl]amino]propyl] [(2S)-2-hydroxy-3-[isopentyl-[(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) | 3.31 | 10.52 | -58.27 | 3 | 7 | 1 | 97 | 436.598 | 12 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 7.48 | -51.7 | 2 | 7 | 0 | 100 | 435.59 | 12 | ↓ |