In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 28 | 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) | 1.18 | 6.9 | -14.08 | 0 | 7 | 0 | 58 | 384.48 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 8.91 | -54.37 | 1 | 7 | 1 | 59 | 385.488 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 9.37 | -102.58 | 2 | 7 | 2 | 61 | 386.496 | 5 | ↓ |