In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 33 | 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) | 4.95 | 12.94 | -50.64 | 3 | 6 | 1 | 68 | 491.95 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.67 | 12.09 | -41.38 | 1 | 6 | -1 | 64 | 489.934 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.67 | 12.59 | -53.34 | 2 | 6 | 0 | 65 | 490.942 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 11.97 | -10.55 | 2 | 6 | 0 | 67 | 490.942 | 5 | ↓ |