UCSF

ZINC48947549

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) -0.28 2.49 -45.08 3 5 1 59 279.36 5
Hi High (pH 8-9.5) -0.28 1.7 -6.73 2 5 0 57 278.352 5
Mid Mid (pH 6-8) -0.28 4.54 -132.35 4 5 2 60 280.368 5

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

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