In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 21 | Yes |
Popular Name: (4S)-2,6,6-trimethyl-1-[(1R)-1-(4-pyridyl)ethyl]-5,7-dihydro-4H-indol-4-amine (4S)-2,6,6-trimethyl-1-[(1R)-1-(…
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) | 0.94 | 7.22 | -42.65 | 3 | 3 | 1 | 45 | 284.427 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 6.91 | -5.55 | 2 | 3 | 0 | 44 | 283.419 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 7.68 | -83.36 | 4 | 3 | 2 | 47 | 285.435 | 2 | ↓ |