In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 18 | Yes |
Popular Name: 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]quinazoline 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…
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) | 1.90 | 7.14 | -42.81 | 2 | 4 | 1 | 46 | 241.318 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.90 | 7.6 | -83.29 | 3 | 4 | 2 | 47 | 242.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.