In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2008 | 21 | Yes |
Popular Name: 6-chloro-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3H-quinazolin-4-one 6-chloro-2-[[(2S,6R)-2,6-dimethy…
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) | 2.12 | 4.6 | -10.72 | 1 | 5 | 0 | 58 | 307.781 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 3.54 | -38.59 | 0 | 5 | -1 | 61 | 306.773 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 6.9 | -53.12 | 2 | 5 | 1 | 59 | 308.789 | 2 | ↓ |