UCSF

ZINC49403546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 31 Yes

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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) 3.95 11.51 -19.61 0 6 0 47 420.557 6
Mid Mid (pH 6-8) 3.95 13.72 -54.75 1 6 1 48 421.565 6

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

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