In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 23 | 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) | 3.18 | 8.94 | -11.68 | 1 | 3 | 0 | 42 | 302.377 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.18 | 9.4 | -44.18 | 2 | 3 | 1 | 43 | 303.385 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 6.93 | -34.11 | 2 | 3 | 1 | 47 | 303.385 | 5 | ↓ |