In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 30 | Yes |
Popular Name: (2R,3S)-3-methyl-2-(3-phenylpropanoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide (2R,3S)-3-methyl-2-(3-phenylprop…
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) | 4.79 | 10.54 | -14.81 | 2 | 6 | 0 | 84 | 422.554 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.98 | 9.42 | -46.25 | 1 | 6 | -1 | 90 | 421.546 | 9 | ↓ |