In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: (1S)-N-[(1S)-1-(1-methylcyclopropyl)ethyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-[(1S)-1-(1-methylcyclopro…
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) | 2.14 | 8.53 | -40.79 | 2 | 4 | 1 | 47 | 245.35 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 7.63 | -11.91 | 1 | 4 | 0 | 42 | 244.342 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.