UCSF

ZINC53298745

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 28 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) 4.16 9.3 -30.76 6 6 1 103 391.886 1
Mid Mid (pH 6-8) 4.16 8.78 -9.8 5 6 0 102 390.878 1
Lo Low (pH 4.5-6) 4.16 9.58 -88.38 7 6 2 105 392.894 1

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

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