In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2009 | 16 | 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) | 4.10 | 6.95 | -5.53 | 2 | 2 | 0 | 39 | 252.77 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 7.3 | -4.13 | 2 | 2 | 0 | 40 | 252.77 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.10 | 7.41 | -28.75 | 3 | 2 | 1 | 40 | 253.778 | 2 | ↓ |