UCSF

ZINC69965749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 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) 0.39 0.24 -8.59 1 5 0 50 214.294 4
Mid Mid (pH 6-8) 0.39 2.49 -44.67 2 5 1 51 215.302 4

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

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