In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 29 | No |
None
None
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) | -2.04 | 3.43 | -52.84 | 3 | 10 | 1 | 106 | 407.495 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.04 | 1.26 | -22.17 | 2 | 10 | 0 | 105 | 406.487 | 5 | ↓ |