UCSF

ZINC54897164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 17 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) -1.50 2.37 -57.23 3 4 1 61 272.419 1
Mid Mid (pH 6-8) -1.50 2.05 -16.6 2 4 0 59 271.411 1
Lo Low (pH 4.5-6) -1.50 2.76 -108.24 4 4 2 62 273.427 1

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

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