In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 28 | Yes |
Popular Name: (2S)-1-(3-bromobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(3-bromobenzoyl)-N-(5-phe…
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) | 3.52 | 9.88 | -25.84 | 1 | 6 | 0 | 75 | 457.353 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 7.87 | -61.7 | 0 | 6 | -1 | 82 | 456.345 | 4 | ↓ |