In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 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) | 3.03 | 7.41 | -17.08 | 2 | 7 | 0 | 87 | 387.509 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 6.76 | -59.48 | 1 | 7 | -1 | 94 | 386.501 | 6 | ↓ |