In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2008 | 27 | 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) | 0.92 | 5.52 | -42.61 | 4 | 7 | 1 | 91 | 368.461 | 4 | ↓ |
Ref Reference (pH 7) | 0.92 | 5.54 | -42.54 | 4 | 7 | 1 | 91 | 368.461 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 5.02 | -15.08 | 3 | 7 | 0 | 90 | 367.453 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.92 | 5.11 | -15.5 | 3 | 7 | 0 | 90 | 367.453 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 6.19 | -58.58 | 4 | 7 | 1 | 95 | 368.461 | 4 | ↓ |