In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 28 | No |
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) | 3.49 | 9.88 | -17.21 | 1 | 6 | 0 | 67 | 382.508 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 10.42 | -35.4 | 2 | 6 | 1 | 68 | 383.516 | 6 | ↓ |