UCSF

ZINC20130706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 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) 2.42 7.81 -49.56 2 8 -1 124 468.486 8
Mid Mid (pH 6-8) 2.57 7.75 -27.83 2 8 0 118 469.494 8

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

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