In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 17 | Yes |
Popular Name: 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]pyridine-2-carbonitrile 4-[[[(1R)-1-cyclopentylethyl]ami…
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) | 2.53 | 6.83 | -53.66 | 2 | 3 | 1 | 53 | 230.335 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 5.7 | -6.7 | 1 | 3 | 0 | 49 | 229.327 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.