In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 29 | 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) | 1.91 | 6.57 | -48.21 | 2 | 6 | 1 | 51 | 406.522 | 11 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 4.51 | -10.83 | 1 | 6 | 0 | 50 | 405.514 | 11 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 6.8 | -47.08 | 2 | 6 | 1 | 51 | 406.522 | 11 | ↓ |