UCSF

ZINC38575513

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 3.13 2.95 -17.8 1 6 0 77 331.278 4
Hi High (pH 8-9.5) 3.20 1.26 -49.68 0 6 -1 84 330.27 4

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

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