In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: 2-[4-[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide 2-[4-[(2S,4S)-4-hydroxypyrrolidi…
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) | -2.01 | 1.71 | -96.98 | 4 | 7 | 2 | 82 | 300.403 | 3 | ↓ |
Hi High (pH 8-9.5) | -2.01 | -0.02 | -48.51 | 3 | 7 | 1 | 81 | 299.395 | 3 | ↓ |