In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 20 | 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) | 3.61 | 6.53 | -33.19 | 2 | 3 | 1 | 29 | 285.496 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 4.92 | -0.52 | 1 | 3 | 0 | 24 | 284.488 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 6.85 | -25.92 | 2 | 3 | 1 | 26 | 285.496 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 8.63 | -102.76 | 3 | 3 | 2 | 30 | 286.504 | 10 | ↓ |