UCSF

ZINC53526941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 26 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) 2.29 7.35 -19.31 2 8 0 113 366.406 4
Mid Mid (pH 6-8) 2.30 6.84 -63.7 1 8 -1 116 365.398 5

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

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