UCSF

ZINC98087697

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 14 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) 1.65 3.85 -3.77 1 4 0 42 200.282 4
Lo Low (pH 4.5-6) 1.65 4.27 -36.48 2 4 1 46 201.29 4

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

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