In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 16 | Yes |
Popular Name: 5-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethyl-pyridin-2-amine 5-(aminomethyl)-3-chloro-N-(cycl…
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) | 2.18 | 6.22 | -49.55 | 3 | 3 | 1 | 44 | 240.758 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 5.81 | -3.75 | 2 | 3 | 0 | 42 | 239.75 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.