In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 29 | Yes |
Popular Name: (2S)-1-(4-chlorobenzoyl)-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (2S)-1-(4-chlorobenzoyl)-N-[5-(m…
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) | 3.84 | 9.78 | -28.34 | 1 | 6 | 0 | 75 | 426.929 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.02 | 8.72 | -46.98 | 0 | 6 | -1 | 82 | 425.921 | 4 | ↓ |