| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-2-methyl-3-[(2S)-2-methylindolin-1-yl]-1-phenyl-propan-1-amine (1S,2R)-2-methyl-3-[(2S)-2-methy…
| 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) | 2.22 | 9.27 | -50 | 3 | 2 | 1 | 31 | 281.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 8.94 | -4.19 | 2 | 2 | 0 | 29 | 280.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 9.5 | -114.65 | 4 | 2 | 2 | 32 | 282.431 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 9.2 | -29.25 | 3 | 2 | 1 | 30 | 281.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
