In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2004 | 33 | 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) | 2.71 | 8.55 | -38.75 | 2 | 9 | 1 | 101 | 453.519 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 9.43 | -40.18 | 3 | 9 | 1 | 105 | 453.519 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 8.73 | -16.15 | 2 | 9 | 0 | 100 | 452.511 | 9 | ↓ |