In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 21 | Yes |
Popular Name: (2R,3aR,7aS)-N-(2-isopropylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(2-isopropylpheny…
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) | 4.68 | 8.07 | -42.18 | 3 | 3 | 1 | 46 | 287.427 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.68 | 6.79 | -8.13 | 2 | 3 | 0 | 41 | 286.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.