In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 22 | Yes |
Popular Name: 3-[5-(3,10-diazaspiro[5.6]dodecan-10-ylmethyl)-3-thienyl]prop-2-yn-1-ol 3-[5-(3,10-diazaspiro[5.6]dodeca…
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) | 1.72 | 6.88 | -98.65 | 4 | 3 | 2 | 41 | 320.502 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.87 | -44.58 | 3 | 3 | 1 | 40 | 319.494 | 2 | ↓ |