UCSF

ZINC06878821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2006 27 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) 1.81 7.67 -46.15 2 7 1 76 430.337 4
Mid Mid (pH 6-8) 1.81 5.32 -14.17 1 7 0 75 429.329 4

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

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