In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | 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) | 1.21 | 1.29 | -48.83 | 2 | 5 | -1 | 87 | 268.343 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 1.85 | -14.93 | 3 | 5 | 0 | 88 | 269.351 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 1.71 | -57.79 | 4 | 5 | 1 | 90 | 270.359 | 2 | ↓ |