In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 19 | No |
Popular Name: 4-[(1S,2S,4R)-norbornan-2-yl]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione 4-[(1S,2S,4R)-norbornan-2-yl]-3-…
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) | 2.53 | 7.64 | -44.57 | 0 | 4 | -1 | 44 | 271.369 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 7.57 | -9.37 | 1 | 4 | 0 | 47 | 272.377 | 2 | ↓ |