UCSF

ZINC16577857

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 28 No

Popular Name: N-[[(2R,3S)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-ylidene]amino]aniline N-[[(2R,3S)-6,6-dimethyl-2-nitro…

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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) 7.23 11.69 -8.84 1 6 0 79 377.444 4 ↓
Lo Low (pH 4.5-6) 7.23 11.99 -7.87 1 6 0 79 377.444 4 ↓
Lo Low (pH 4.5-6) 7.23 12.13 -8.79 1 6 0 79 377.444 4 ↓
Lo Low (pH 4.5-6) 7.23 12.34 -9.72 1 6 0 79 377.444 4 ↓

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

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