In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 21 | Yes |
Popular Name: (2S,3S)-1-tert-butyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-amine (2S,3S)-1-tert-butyl-2-(3,4-dihy…
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) | 1.88 | 4.55 | -42.05 | 3 | 4 | 1 | 49 | 291.415 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 5.99 | -34.41 | 3 | 4 | 1 | 49 | 291.415 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.