In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 20 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-(5-methyl-2-furyl)ethyl]thiophene-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(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) | 1.71 | 5.07 | -55.13 | 4 | 4 | 1 | 70 | 289.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.71 | 4.66 | -7.98 | 3 | 4 | 0 | 68 | 288.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.