In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 18 | Yes |
Popular Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-carboxylic 2-methyl-5-[(4-methyl-1,4-diazep…
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) | 0.88 | 6.36 | -70.08 | 1 | 5 | 0 | 61 | 252.314 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 8.45 | -126.43 | 2 | 5 | 1 | 62 | 253.322 | 3 | ↓ |