In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 18 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…
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) | -0.47 | 3.84 | -54.19 | 3 | 4 | 1 | 61 | 244.318 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.47 | 3.44 | -10.01 | 2 | 4 | 0 | 59 | 243.31 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.