UCSF

ZINC96170806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2014 30 No

CAS Number: 130309-37-4

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Annotations

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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) 3.91 15.41 -52.03 1 5 0 71 405.494 6
Hi High (pH 8-9.5) 3.91 13.93 -66.52 0 5 -1 70 404.486 6

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

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