UCSF

ZINC68879256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.11 4.58 -56.55 3 6 1 80 372.486 8
Mid Mid (pH 6-8) 2.11 2.4 -18.21 2 6 0 79 371.478 8

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

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