In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 26 | Yes |
Popular Name: (2S)-1-(3,5-dichlorobenzoyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(3,5-dichlorobenzoyl)-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) | 2.87 | 8.67 | -23.6 | 1 | 6 | 0 | 75 | 413.33 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 6.66 | -56.83 | 0 | 6 | -1 | 82 | 412.322 | 4 | ↓ |