In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 31 | Yes |
Popular Name: diamino-cyclopentyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-oxo-BLAHcarbonitrile diamino-cyclopentyl-[(2S,6R)-2,6…
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) | 2.00 | 7.33 | -15.89 | 4 | 9 | 0 | 134 | 421.505 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 7.76 | -53.58 | 5 | 9 | 1 | 136 | 422.513 | 2 | ↓ |