In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: 4-[(3S)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]amino]butyl]phenol 4-[(3S)-3-[[(3S)-1-isopropylpyrr…
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) | 3.09 | 4.9 | -43.49 | 3 | 3 | 1 | 40 | 277.432 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 7.29 | -115.9 | 4 | 3 | 2 | 41 | 278.44 | 6 | ↓ |