UCSF

ZINC37097556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.62 7.78 -8.58 1 4 0 41 285.391 6
Mid Mid (pH 6-8) 2.62 7.73 -30.58 2 4 1 42 286.399 6
Lo Low (pH 4.5-6) 2.62 7.93 -23.71 2 4 1 43 286.399 6

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

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