In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 23 | 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) | 3.71 | 9.48 | -36.11 | 1 | 4 | 1 | 31 | 310.421 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 6.96 | -7.7 | 0 | 4 | 0 | 30 | 309.413 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.71 | 10.19 | -90.85 | 2 | 4 | 2 | 33 | 311.429 | 7 | ↓ |