In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2010 | 27 | Yes |
Popular Name: (3S)-1-(3,5-dimethylbenzoyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (3S)-1-(3,5-dimethylbenzoyl)-N-(…
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) | 2.81 | 9.33 | -16.98 | 1 | 6 | 0 | 75 | 386.521 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 8.04 | -55.43 | 0 | 6 | -1 | 82 | 385.513 | 5 | ↓ |