In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 35 | Yes |
Popular Name: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-chloro-2-(4-hydroxyphenyl)indol-5-ol 1-[[4-[2-(azepan-1-yl)ethoxy]phe…
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) | 6.62 | 12.31 | -43.62 | 3 | 5 | 1 | 59 | 492.039 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.62 | 10.4 | -10.91 | 2 | 5 | 0 | 58 | 491.031 | 7 | ↓ |