In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 19 | 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) | 1.57 | 5.42 | -106.58 | 4 | 3 | 2 | 35 | 263.429 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 3.3 | -2.09 | 2 | 3 | 0 | 32 | 261.413 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 5.92 | -96.81 | 4 | 3 | 2 | 35 | 263.429 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 3.67 | -43.84 | 3 | 3 | 1 | 34 | 262.421 | 6 | ↓ |