UCSF

ZINC37216850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 32 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) 3.84 10.81 -15.57 2 9 0 139 454.46 7
Hi High (pH 8-9.5) 3.90 10.65 -95.34 0 9 -2 148 452.444 7
Mid Mid (pH 6-8) 3.90 9.65 -45.07 1 9 -1 145 453.452 7

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

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