In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2010 | 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) | 2.62 | 6.71 | -43.27 | 2 | 7 | 1 | 65 | 431.553 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 4.83 | -9.43 | 1 | 7 | 0 | 64 | 430.545 | 8 | ↓ |