In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 37 | 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) | 6.89 | 14.04 | -38.01 | 2 | 7 | 1 | 83 | 522.691 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.89 | 13.69 | -15.65 | 1 | 7 | 0 | 82 | 521.683 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.89 | 14.15 | -105.81 | 3 | 7 | 2 | 88 | 523.699 | 9 | ↓ |