In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2010 | 24 | 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) | 1.35 | 6.91 | -39.97 | 2 | 6 | 1 | 63 | 354.496 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.35 | 4.57 | -15.95 | 1 | 6 | 0 | 62 | 353.488 | 9 | ↓ |