In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 17 | Yes |
Popular Name: (2S)-1-amino-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (2S)-1-amino-3-[(4,5-dicycloprop…
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) | -0.64 | 3.06 | -57.98 | 4 | 5 | 1 | 79 | 255.367 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.64 | 2.47 | -12.93 | 3 | 5 | 0 | 77 | 254.359 | 6 | ↓ |