In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 3.99 | 9.4 | -19.22 | 0 | 8 | 0 | 91 | 463.486 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 12.25 | -52.17 | 1 | 8 | 1 | 93 | 464.494 | 7 | ↓ |