UCSF

ZINC37842958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 2.33 4.46 -10.47 1 4 0 55 291.8 8
Mid Mid (pH 6-8) 2.33 4.53 -41.24 0 4 -1 57 290.792 8

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Rings

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