UCSF

ZINC35017628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

Popular Name: (2Z)-8-[2-(dimethylamino)acetyl]-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,9-dimethyl-6, (2Z)-8-[2-(dimethylamino)acetyl]…

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Physical Representations

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) 0.64 4.11 -53.31 3 9 1 112 432.476 5 ↓
Hi High (pH 8-9.5) 0.64 2.34 -51.88 1 9 -1 114 430.46 5 ↓
Mid Mid (pH 6-8) 0.64 4.73 -79.29 2 9 0 115 431.468 5 ↓
Lo Low (pH 4.5-6) 0.64 5.82 -92.33 4 9 2 114 433.484 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.