UCSF

ZINC51481581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.26 7.46 -40.65 2 5 1 55 293.435 7
Hi High (pH 8-9.5) 2.26 6.23 -6.19 1 5 0 50 292.427 7
Lo Low (pH 4.5-6) 2.26 7.56 -98.15 3 5 2 56 294.443 7
Lo Low (pH 4.5-6) 2.26 7.58 -110.01 3 5 2 56 294.443 7

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

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