UCSF

ZINC13678901

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.85 5.16 -16.8 2 7 0 102 501.413 8
Hi High (pH 8-9.5) 4.85 5.24 -47.68 1 7 -1 104 500.405 8
Hi High (pH 8-9.5) 4.85 5.22 -44.91 1 7 -1 104 500.405 8
Hi High (pH 8-9.5) 4.85 5.3 -98.14 0 7 -2 106 499.397 8

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

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