UCSF

ZINC63751337

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 No

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Annotations

None

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) 3.01 8.11 -18.02 1 7 0 82 453.296 3
Hi High (pH 8-9.5) 3.19 5.92 -58.88 0 7 -1 88 452.288 3

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

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