In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 31 | 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) | 2.04 | 7.1 | -58.34 | 2 | 7 | 1 | 72 | 430.569 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 4.09 | -38.29 | 1 | 7 | 0 | 79 | 429.561 | 6 | ↓ |