In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 21 | Yes |
Popular Name: 1-[(2S,3S)-4-ethyl-3-(1-methylindolin-5-yl)morpholin-2-yl]-N-methyl-methanamine 1-[(2S,3S)-4-ethyl-3-(1-methylin…
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) | 1.99 | 5.57 | -35.16 | 2 | 4 | 1 | 32 | 290.431 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 6.2 | -84.05 | 3 | 4 | 2 | 34 | 291.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.