UCSF

ZINC59206723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 32 No

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Annotations

Vendors

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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) 3.29 10.61 -59.43 4 8 0 133 475.563 22
Hi High (pH 8-9.5) 3.29 10.18 -49.79 3 8 -1 131 474.555 22

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

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