UCSF

ZINC53428616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 2.31 6.56 -30.67 2 3 1 26 255.426 8
Mid Mid (pH 6-8) 2.31 5.95 -36.1 2 3 1 29 255.426 8
Mid Mid (pH 6-8) 2.31 7.9 -111.21 3 3 2 30 256.434 8

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

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