In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (1S,2S)-2-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[(2S)-2-(1-methylpyrro…
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) | 2.23 | 9.75 | -50.73 | 0 | 5 | -1 | 65 | 289.355 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 7.75 | -9.59 | 1 | 5 | 0 | 63 | 290.363 | 3 | ↓ |