In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(1H-pyrrol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (1S)-1-(1H-pyrrol-2-yl)-2,3,4,9-…
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) | 2.86 | 4.62 | -8.02 | 3 | 3 | 0 | 44 | 237.306 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 5.99 | -47.15 | 4 | 3 | 1 | 48 | 238.314 | 1 | ↓ |