UCSF

ZINC80041305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 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) 1.14 2.75 -22.43 4 5 0 84 260.322 3
Mid Mid (pH 6-8) 1.14 2.78 -27.32 4 5 0 84 260.322 3

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

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