In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 15 | No |
Popular Name: 4-amino-5-[[(1R,2R,4S)-norbornan-2-yl]methyl]-1,2,4-triazole-3-thiol 4-amino-5-[[(1R,2R,4S)-norbornan…
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) | 1.03 | 6.42 | -9.63 | 3 | 4 | 0 | 60 | 224.333 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 6.27 | -41.18 | 2 | 4 | -1 | 57 | 223.325 | 2 | ↓ |