In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
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) | 3.64 | 6.53 | -8.66 | 0 | 6 | 0 | 55 | 420.509 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 8.81 | -48.18 | 1 | 6 | 1 | 56 | 421.517 | 5 | ↓ |