UCSF

ZINC69482570

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 39 No

Popular Name: [(1S,2S)-3-(2,4-dihydroxybenzoyl)-6,7-dihydroxy-1-(4-hydroxyphenyl)-1,2-dihydronaphthalen-2-yl]-(2,4 [(1S,2S)-3-(2,4-dihydroxybenzoyl…

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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) 3.87 0.13 -22.7 7 9 0 176 526.497 5 ↓
Hi High (pH 8-9.5) 3.87 2.81 -167.03 4 9 -3 184 523.473 5 ↓
Hi High (pH 8-9.5) 3.87 1.8 -102.28 5 9 -2 181 524.481 5 ↓

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

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