In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 19 | Yes |
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) | -1.04 | 2.2 | -45.1 | 3 | 4 | 1 | 49 | 263.361 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.04 | 1.89 | -4.46 | 2 | 4 | 0 | 48 | 262.353 | 2 | ↓ |
Lo Low (pH 4.5-6) | -1.04 | 4.22 | -130.46 | 4 | 4 | 2 | 51 | 264.369 | 2 | ↓ |