In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2009 | 24 | Yes |
Popular Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (2S)-N-(5-ethyl-1,3,4-thiadiazol…
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) | 1.59 | 5.44 | -34.5 | 2 | 7 | 0 | 95 | 346.412 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 6.35 | -89.64 | 1 | 7 | -1 | 98 | 345.404 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.78 | 5.28 | -148.85 | 0 | 7 | -2 | 105 | 344.396 | 4 | ↓ |