In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 22 | 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) | 3.93 | 7.45 | -33.91 | 1 | 4 | 1 | 26 | 313.506 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 6.91 | -2.18 | 0 | 4 | 0 | 25 | 312.498 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.92 | 8.64 | -111.14 | 2 | 4 | 2 | 27 | 314.514 | 9 | ↓ |