In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 20 | No |
Popular Name: 6-amino-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide 6-amino-N-[(3-nitrophenyl)methyl…
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) | 1.12 | 4.36 | -12.36 | 3 | 7 | 0 | 114 | 272.264 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.12 | 4.85 | -40.81 | 4 | 7 | 1 | 115 | 273.272 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.