In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 23 | Yes |
Popular Name: [4-ethyl-1-(7-methoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]methanol [4-ethyl-1-(7-methoxy-4-methyl-q…
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) | 3.47 | 7.28 | -12.53 | 1 | 5 | 0 | 58 | 315.417 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 7.56 | -34.18 | 2 | 5 | 1 | 60 | 316.425 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 7.59 | -24.86 | 2 | 5 | 1 | 60 | 316.425 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.