In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 19 | Yes |
Popular Name: 4-[(3S)-3-[[(1S)-1-(2-thienyl)ethyl]amino]butyl]phenol 4-[(3S)-3-[[(1S)-1-(2-thienyl)et…
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) | 4.13 | 7.24 | -42.61 | 3 | 2 | 1 | 37 | 276.425 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.13 | 6.04 | -7.18 | 2 | 2 | 0 | 32 | 275.417 | 6 | ↓ |