In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | Yes |
None
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) | 3.24 | 7.11 | -19.08 | 0 | 9 | 0 | 95 | 490.512 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.24 | 9.37 | -54.27 | 1 | 9 | 1 | 96 | 491.52 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 9.95 | -54.18 | 1 | 9 | 1 | 96 | 491.52 | 5 | ↓ |