In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 13 | No |
Popular Name: 5-[(1R,2S,4S)-norbornan-2-yl]-4H-1,2,4-triazole-3-thiol 5-[(1R,2S,4S)-norbornan-2-yl]-4H…
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) | 1.73 | 5.92 | -43.93 | 1 | 3 | -1 | 42 | 194.283 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 5.75 | -22.62 | 2 | 3 | 0 | 43 | 195.291 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.00 | 5.58 | -10.18 | 2 | 3 | 0 | 44 | 195.291 | 1 | ↓ |