In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 1.95 | 8.76 | -69.96 | 1 | 10 | 0 | 111 | 524.57 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 8.01 | -54.13 | 2 | 10 | 1 | 108 | 525.578 | 9 | ↓ |