UCSF

ZINC54931299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 No

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) 1.80 7.08 -108.88 5 5 2 70 271.368 4
Hi High (pH 8-9.5) 1.80 4.68 -10.07 3 5 0 67 269.352 4
Mid Mid (pH 6-8) 1.80 6.96 -52.79 4 5 1 68 270.36 4

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

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