In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2008 | 27 | No |
Popular Name: 4-[(3S)-3-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-5-yl]benzene-1,3-diol 4-[(3S)-3-methyl-1,2,3,4-tetrahy…
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) | 5.91 | 10 | -83.64 | 1 | 3 | -1 | 56 | 354.429 | 0 | ↓ |
Mid Mid (pH 6-8) | 5.91 | 9.25 | -35.32 | 2 | 3 | 0 | 53 | 355.437 | 0 | ↓ |
Lo Low (pH 4.5-6) | 5.87 | 8.09 | -27.91 | 3 | 3 | 1 | 55 | 356.445 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.