In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2007 | 37 | 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) | 4.24 | 10.78 | -56.03 | 0 | 7 | -1 | 82 | 509.598 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 0.7 | -49.09 | 1 | 7 | 1 | 77 | 511.614 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.24 | 13.11 | -74.42 | 1 | 7 | 0 | 83 | 510.606 | 10 | ↓ |