| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | Yes |
Popular Name: (3R,4R)-N3-(cyclopropylmethyl)-N3-ethyl-N4-propyl-tetrahydropyran-3,4-diamine (3R,4R)-N3-(cyclopropylmethyl)-N…
| 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) | 2.34 | 6.17 | -31.82 | 2 | 3 | 1 | 26 | 241.399 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.26 | -34.12 | 2 | 3 | 1 | 29 | 241.399 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 4.45 | -0.63 | 1 | 3 | 0 | 24 | 240.391 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 7.08 | -111.22 | 3 | 3 | 2 | 30 | 242.407 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
