In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 26 | Yes |
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) | 3.62 | 9.53 | -35.43 | 1 | 4 | 1 | 30 | 356.534 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 7.26 | -5.38 | 0 | 4 | 0 | 29 | 355.526 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.62 | 9.72 | -41.07 | 1 | 4 | 1 | 30 | 356.534 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.62 | 10.2 | -84.7 | 2 | 4 | 2 | 31 | 357.542 | 9 | ↓ |