UCSF

ZINC75575884

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2012 12 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) 0.09 1.32 -17.46 4 5 0 84 182.208 1
Mid Mid (pH 6-8) 0.55 -0 -47.72 3 5 -1 87 181.2 1
Mid Mid (pH 6-8) 0.55 -0.78 -12.8 4 5 0 84 182.208 1

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

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