In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 21 | 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) | 2.91 | 3.95 | -11.21 | 1 | 5 | 0 | 65 | 307.371 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.91 | 4.16 | -42.05 | 0 | 5 | -1 | 67 | 306.363 | 7 | ↓ |