In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2005 | 19 | 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) | 2.30 | 3.1 | -10.52 | 1 | 5 | 0 | 68 | 298.751 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 3.2 | -42.48 | 0 | 5 | -1 | 70 | 297.743 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.30 | 3.4 | -43.19 | 2 | 5 | 1 | 70 | 299.759 | 4 | ↓ |