In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 14 | No |
Popular Name: 5-[[(1R,2R,4S)-norbornan-2-yl]methyl]-4H-1,2,4-triazole-3-thiol 5-[[(1R,2R,4S)-norbornan-2-yl]me…
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) | 2.31 | 6.67 | -42.45 | 1 | 3 | -1 | 42 | 208.31 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 6.58 | -25.54 | 2 | 3 | 0 | 43 | 209.318 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.58 | 6.68 | -10.82 | 2 | 3 | 0 | 44 | 209.318 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.