In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 14 | Yes |
Popular Name: 1-(1-methyltriazol-4-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine 1-(1-methyltriazol-4-yl)-N-(1H-p…
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 | 1.25 | -50.8 | 3 | 6 | 1 | 76 | 193.234 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.64 | -0.12 | -14.98 | 2 | 6 | 0 | 71 | 192.226 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.