In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 15 | 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) | 2.21 | 3.4 | -45.76 | 4 | 3 | 1 | 57 | 268.551 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 3.08 | -8.57 | 3 | 3 | 0 | 55 | 267.543 | 2 | ↓ |