In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: 2-[[4-(2-aminoethyl)-1-piperidyl]methyl]-3H-quinazolin-4-one 2-[[4-(2-aminoethyl)-1-piperidyl…
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) | 0.92 | 5.94 | -109.22 | 5 | 5 | 2 | 78 | 288.395 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 3.18 | -94.05 | 4 | 5 | 1 | 81 | 287.387 | 4 | ↓ |