UCSF

ZINC66066558

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 44 No

Popular Name: (E)-3-(2-chlorophenyl)-1-[4-[4-[[5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-hydroxy-3-methoxy-phenyl]m (E)-3-(2-chlorophenyl)-1-[4-[4-[…

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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) 7.47 15.65 -19.62 1 6 0 70 627.568 10 ↓
Mid Mid (pH 6-8) 7.47 18.87 -40.58 1 6 0 74 627.568 10 ↓
Mid Mid (pH 6-8) 7.47 16.62 -53.07 0 6 -1 73 626.56 10 ↓
Mid Mid (pH 6-8) 7.47 17.93 -59.57 2 6 1 71 628.576 10 ↓

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Rings

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

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