In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 20 | Yes |
Popular Name: 6-(aminomethyl)-N-(1H-indol-4-ylmethyl)-2-methyl-pyrimidin-4-amine 6-(aminomethyl)-N-(1H-indol-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) | 1.29 | 3.97 | -48.75 | 5 | 5 | 1 | 81 | 268.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 3.57 | -9.14 | 4 | 5 | 0 | 80 | 267.336 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 3.96 | -28.44 | 5 | 5 | 1 | 81 | 268.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.