In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 27 | Yes |
Popular Name: 1-(3-pyridinylmethyl)-4-(3,4,5-trimethoxybenzoyl)piperazine 1-(3-pyridinylmethyl)-4-(3,4,5-t…
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) | 0.59 | 0.91 | -54.34 | 1 | 7 | 1 | 65 | 372.445 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 1.02 | -121.21 | 2 | 7 | 2 | 66 | 373.453 | 6 | ↓ |