In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 13 | 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) | 2.57 | 5.68 | -31.89 | 2 | 2 | 1 | 16 | 185.335 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 3.21 | -1.01 | 1 | 2 | 0 | 15 | 184.327 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 4.41 | -34.55 | 2 | 2 | 1 | 20 | 185.335 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 6.88 | -105.84 | 3 | 2 | 2 | 21 | 186.343 | 6 | ↓ |