UCSF

ZINC69566537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.59 2.02 -33.61 0 7 -1 103 325.3 3
Mid Mid (pH 6-8) 0.41 5.49 -17.86 1 7 0 97 326.308 3
Mid Mid (pH 6-8) 0.41 4.01 -14.4 1 7 0 97 326.308 3

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

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