In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2009 | 32 | 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) | 3.98 | 9.29 | -83.21 | 2 | 6 | 1 | 72 | 437.47 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 6.94 | -17.67 | 1 | 6 | 0 | 71 | 436.462 | 6 | ↓ |