In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | Yes |
Popular Name: 7-chloro-2-[[(1-methyl-4-piperidyl)amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[(1-methyl-4-piperid…
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) | 1.72 | 5.5 | -42.73 | 3 | 5 | 1 | 62 | 307.805 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 2.93 | -57.86 | 2 | 5 | 0 | 65 | 306.797 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 4.11 | -91.65 | 3 | 5 | 1 | 70 | 307.805 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.3 | -52.17 | 3 | 5 | 1 | 66 | 307.805 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 6.68 | -121.09 | 4 | 5 | 2 | 67 | 308.813 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.