In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 21 | Yes |
Popular Name: 1-(5-methylpyrazin-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine 1-(5-methylpyrazin-2-yl)-N-[(2-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) | 1.08 | 3.6 | -11.44 | 1 | 6 | 0 | 69 | 280.335 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 4.96 | -48.77 | 2 | 6 | 1 | 73 | 281.343 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.