UCSF

ZINC52881978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 1.71 5.21 -9.74 2 4 0 59 281.359 2
Mid Mid (pH 6-8) 1.71 5.43 -56.14 3 4 1 61 282.367 2
Lo Low (pH 4.5-6) 1.71 5.83 -99.05 4 4 2 62 283.375 2

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

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