In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 16 | Yes |
Popular Name: 4-[[(1-methylcyclopentyl)amino]methyl]benzene-1,3-diol 4-[[(1-methylcyclopentyl)amino]m…
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) | 2.78 | 1.88 | -36.94 | 4 | 3 | 1 | 57 | 222.308 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 2.64 | -31.72 | 3 | 3 | 0 | 60 | 221.3 | 3 | ↓ |