In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 18 | Yes |
Popular Name: 4-[5-[(4-methylpiperazin-1-yl)methyl]-3-thienyl]but-3-yn-1-ol 4-[5-[(4-methylpiperazin-1-yl)me…
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) | 1.30 | 4.55 | -37.43 | 2 | 3 | 1 | 28 | 265.402 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 4.45 | -37.95 | 2 | 3 | 1 | 28 | 265.402 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 2.2 | -5.28 | 1 | 3 | 0 | 27 | 264.394 | 3 | ↓ |