In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 20 | Yes |
Popular Name: N'-(dicyclopropylmethyl)-N-(2-dimethylaminoethyl)-N-isobutyl-ethane-1,2-diamine N'-(dicyclopropylmethyl)-N-(2-di…
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) | 3.01 | 8.25 | -113 | 3 | 3 | 2 | 24 | 283.504 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 7.06 | -35.72 | 2 | 3 | 1 | 23 | 282.496 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 9.51 | -93.44 | 3 | 3 | 2 | 24 | 283.504 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.