UCSF

ZINC49567420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 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) 0.73 6.88 -108.85 3 4 2 41 253.39 5
Hi High (pH 8-9.5) 0.73 5.95 -37.75 2 4 1 37 252.382 5
Hi High (pH 8-9.5) 0.73 3.47 -6.86 1 4 0 36 251.374 5
Hi High (pH 8-9.5) 0.73 4.5 -40.79 2 4 1 40 252.382 5

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

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