UCSF

ZINC04558422

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 30 No

Popular Name: [3-[[4-[[3,5-bis(sulfanylmethyl)phenoxy]methyl]phenyl]methoxy]-5-(sulfanylmethyl)phenyl]methanethiol [3-[[4-[[3,5-bis(sulfanylmethyl)…

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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) 6.26 -1.21 -8.33 0 2 0 18 474.738 10 ↓
Hi High (pH 8-9.5) 6.26 -2.16 -47.56 0 2 -1 18 473.73 10 ↓
Hi High (pH 8-9.5) 6.26 -3.12 -104.95 0 2 -2 18 472.722 10 ↓
Hi High (pH 8-9.5) 6.26 -3.12 -97.58 0 2 -2 18 472.722 10 ↓
Hi High (pH 8-9.5) 6.26 -4.08 -160.71 0 2 -3 18 471.714 10 ↓

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