In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 19 | Yes |
Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine 1-(3,5-dimethyl-1H-pyrazol-4-yl)…
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) | 0.58 | 6.12 | -57.08 | 3 | 6 | 1 | 75 | 257.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.58 | 4.76 | -16.05 | 2 | 6 | 0 | 71 | 256.313 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.