In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | Yes |
Popular Name: (2R,3aR,7aS)-N-(4-carbamoylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(4-carbamoylcyclo…
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) | 2.02 | 2.43 | -46.13 | 5 | 5 | 1 | 89 | 294.419 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 1.28 | -18.35 | 4 | 5 | 0 | 84 | 293.411 | 3 | ↓ |