In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 27 | Yes |
Popular Name: 4-(4-methylpiperazin-1-yl)-2-(4-tert-butylphenyl)-quinazoline 4-(4-methylpiperazin-1-yl)-2-(4-…
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) | 5.48 | 13.84 | -44.34 | 1 | 4 | 1 | 33 | 361.513 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.48 | 11.48 | -8.25 | 0 | 4 | 0 | 32 | 360.505 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.48 | 14.19 | -79.57 | 2 | 4 | 2 | 35 | 362.521 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.