In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 17 | 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) | 0.95 | 8.01 | -88.61 | 3 | 3 | 2 | 33 | 231.343 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 8.05 | -34.66 | 2 | 3 | 1 | 32 | 230.335 | 1 | ↓ |