UCSF

ZINC59614318

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 37 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) 6.70 8.5 -51.02 1 10 -1 121 529.017 9
Mid Mid (pH 6-8) 6.24 10.67 -13.95 2 10 0 118 530.025 9

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

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