In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 37 | No |
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) | 2.56 | 8.04 | -66.74 | 0 | 9 | -1 | 101 | 509.579 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 10.3 | -79.02 | 1 | 9 | 0 | 102 | 510.587 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.56 | 9.54 | -53.48 | 2 | 9 | 1 | 99 | 511.595 | 11 | ↓ |