UCSF

ZINC11821127

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 27 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) 2.42 -1.07 -8.47 1 8 0 93 397.386 5
Lo Low (pH 4.5-6) 2.42 -0.84 -47.1 2 8 1 94 398.394 5

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

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