In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
None
None
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 | 11.41 | -50.47 | 2 | 6 | 1 | 67 | 457.55 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 9.22 | -9.93 | 1 | 6 | 0 | 66 | 456.542 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 9.98 | -43.34 | 0 | 6 | -1 | 69 | 455.534 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 12.17 | -30.78 | 1 | 6 | 0 | 70 | 456.542 | 5 | ↓ |