In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 38 | 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) | 3.09 | 7.9 | -59.67 | 0 | 9 | -1 | 101 | 523.606 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 9.39 | -48.27 | 2 | 9 | 1 | 99 | 525.622 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 10.25 | -71.99 | 1 | 9 | 0 | 102 | 524.614 | 12 | ↓ |