In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 30 | No |
Popular Name: (2S)-1-(3-nitrobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide (2S)-1-(3-nitrobenzoyl)-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) | 2.67 | 9.96 | -27.49 | 1 | 9 | 0 | 121 | 423.454 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 7.95 | -62.33 | 0 | 9 | -1 | 127 | 422.446 | 5 | ↓ |