UCSF

ZINC39896792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 36 No

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Annotations

Vendors

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) 5.55 14.64 -11.58 1 5 0 73 499.611 6
Hi High (pH 8-9.5) 5.74 12.97 -40.17 0 5 -1 80 498.603 6

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