UCSF

ZINC27998927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 14 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) 0.37 0.3 -20.38 1 5 0 62 214.246 1
Mid Mid (pH 6-8) 0.83 -0.33 -48.38 0 5 -1 65 213.238 1

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

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