In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 27 | Yes |
Popular Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(p-tolylmethyl)piperazin-1-yl]methyl]-3-methoxy-phenol 4-[[(3S)-3-(2-hydroxyethyl)-4-(p…
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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) | 2.61 | 4.5 | -39.21 | 3 | 5 | 1 | 57 | 371.501 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 4.32 | -37.9 | 3 | 5 | 1 | 57 | 371.501 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 2.19 | -7.5 | 2 | 5 | 0 | 56 | 370.493 | 7 | ↓ |