In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 35 | Yes |
None
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) | 3.72 | 9.95 | -47.86 | 1 | 8 | 0 | 97 | 490.633 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 9.53 | -54.99 | 0 | 8 | -1 | 100 | 489.625 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.72 | 11.75 | -23.29 | 1 | 8 | 0 | 97 | 490.633 | 6 | ↓ |