In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 38 | No |
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) | -4.49 | 6.11 | -162.01 | 1 | 15 | -3 | 220 | 536.518 | 11 | ↓ |
Hi High (pH 8-9.5) | -4.49 | 9.01 | -162.1 | 2 | 15 | -2 | 222 | 537.526 | 11 | ↓ |
Hi High (pH 8-9.5) | -4.49 | 11.56 | -153.24 | 3 | 15 | -1 | 223 | 538.534 | 11 | ↓ |
Mid Mid (pH 6-8) | -4.49 | 11.31 | -143.04 | 3 | 15 | -1 | 223 | 538.534 | 11 | ↓ |
Mid Mid (pH 6-8) | -4.49 | 8.78 | -135.89 | 2 | 15 | -2 | 222 | 537.526 | 11 | ↓ |
Mid Mid (pH 6-8) | -4.49 | 8.83 | -145.19 | 2 | 15 | -2 | 222 | 537.526 | 11 | ↓ |
Lo Low (pH 4.5-6) | -4.49 | 13.78 | -159.16 | 4 | 15 | 0 | 224 | 539.542 | 11 | ↓ |