In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 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) | 0.20 | 2.83 | -29.33 | 3 | 5 | 1 | 58 | 255.386 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 1.3 | -4.4 | 2 | 5 | 0 | 56 | 254.378 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.20 | 3.11 | -103.74 | 4 | 5 | 2 | 59 | 256.394 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.20 | 1.59 | -39.7 | 3 | 5 | 1 | 58 | 255.386 | 7 | ↓ |