UCSF

ZINC62977261

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 33 No

Popular Name: (7Z)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2,4-dihydr (7Z)-7-[[4-(diethylamino)phenyl]…

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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) 4.45 10.1 -51.97 1 6 0 56 449.571 6 ↓
Mid Mid (pH 6-8) 4.45 10.05 -11.22 0 6 0 55 448.563 6 ↓
Lo Low (pH 4.5-6) 4.45 13.03 -108.71 2 6 0 58 450.579 6 ↓

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

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