In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 16 | Yes |
Popular Name: 2-[[(1R,2R)-2-(aminomethyl)cyclopentyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1R,2R)-2-(aminomethyl)cyclo…
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) | 0.39 | 3.18 | -108.67 | 5 | 4 | 2 | 61 | 227.352 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 2.79 | -33.55 | 4 | 4 | 1 | 60 | 226.344 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 1.83 | -43.81 | 4 | 4 | 1 | 60 | 226.344 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.