UCSF

ZINC27028162

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 21 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) 1.91 4.55 -50.48 1 8 -1 112 287.303 2
Hi High (pH 8-9.5) 2.37 3.5 -107.19 0 8 -2 115 286.295 2

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

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