In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 15 | Yes |
Popular Name: (2S)-1-[[(1S)-1-cyclopropylethyl]-methyl-amino]-3-(isopropylamino)propan-2-ol (2S)-1-[[(1S)-1-cyclopropylethyl…
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) | 1.36 | 4.57 | -97.82 | 4 | 3 | 2 | 41 | 216.369 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 3.3 | -32.14 | 3 | 3 | 1 | 37 | 215.361 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 5.08 | -35.74 | 3 | 3 | 1 | 44 | 215.361 | 7 | ↓ |