In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 27 | 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) | 3.61 | 10.12 | -24.15 | 1 | 6 | 0 | 73 | 377.473 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.67 | 8.59 | -61.64 | 0 | 6 | -1 | 79 | 376.465 | 2 | ↓ |