In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 38 | 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) | 2.65 | 6.68 | -27.99 | 3 | 10 | 0 | 117 | 518.618 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 7.06 | -43.03 | 4 | 10 | 1 | 118 | 519.626 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 9.39 | -106.12 | 5 | 10 | 2 | 119 | 520.634 | 10 | ↓ |