In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 31 | 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) | 4.53 | 12.45 | -51.05 | 2 | 4 | 1 | 43 | 420.573 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 10.28 | -8.88 | 1 | 4 | 0 | 42 | 419.565 | 10 | ↓ |