UCSF

ZINC18322605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 19 No

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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) 1.62 8.06 -34.41 5 4 1 73 251.313 2
Mid Mid (pH 6-8) 2.87 8.06 -34.34 5 4 1 72 251.313 2
Mid Mid (pH 6-8) 2.87 8.06 -34.46 5 4 1 72 251.313 2
Mid Mid (pH 6-8) 1.62 8.09 -7.24 4 4 0 71 250.305 2

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

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