In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 18 | 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) | 1.88 | 5.38 | -42.18 | 2 | 3 | 1 | 23 | 252.357 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 7.64 | -125.91 | 3 | 3 | 2 | 24 | 253.365 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 6.3 | -40.65 | 2 | 3 | 1 | 20 | 252.357 | 5 | ↓ |