UCSF

ZINC94437773

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2013 34 No

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Annotations

Vendors

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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) 1.99 7.89 -97.86 4 8 -2 159 494.654 20
Lo Low (pH 4.5-6) 1.99 8.34 -94.48 5 8 -1 161 495.662 20

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

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