In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 17 | No |
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) | 0.91 | 3.1 | -51.55 | 0 | 5 | -1 | 78 | 262.351 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.91 | 5.21 | -83.04 | 1 | 5 | 0 | 79 | 263.359 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.91 | 3.24 | -58.57 | 2 | 5 | 1 | 76 | 264.367 | 7 | ↓ |