In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 34 | No |
Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(1-methylpyrrol-2-yl)-…
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) | 0.63 | 5.05 | -13.54 | 2 | 9 | 0 | 96 | 465.554 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.63 | 7.17 | -46.51 | 3 | 9 | 1 | 97 | 466.562 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.