In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 29 | 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) | 3.05 | 4.81 | -10.04 | 3 | 7 | 0 | 100 | 387.443 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 4.8 | -45.42 | 3 | 7 | 0 | 97 | 388.451 | 4 | ↓ |