In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 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) | 3.29 | 6.49 | -46.49 | 3 | 2 | 1 | 31 | 279.473 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 5.64 | -1.74 | 2 | 2 | 0 | 29 | 278.465 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 8.06 | -118.07 | 4 | 2 | 2 | 32 | 280.481 | 3 | ↓ |