UCSF

ZINC66635342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 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) 2.23 4.94 -17.13 3 7 0 104 311.297 4
Hi High (pH 8-9.5) 2.23 5.94 -54.8 2 7 -1 107 310.289 4
Lo Low (pH 4.5-6) 2.23 5.43 -46.04 4 7 1 106 312.305 4

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

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