UCSF

ZINC53498324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 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) 0.35 4.45 -85.88 3 4 2 34 243.395 7
Hi High (pH 8-9.5) 0.35 0.35 -3.02 1 4 0 28 241.379 7
Hi High (pH 8-9.5) 0.35 2.74 -28.36 2 4 1 29 242.387 7
Hi High (pH 8-9.5) 0.35 2.05 -35.65 2 4 1 32 242.387 7

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

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