UCSF

ZINC37319678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.22 11.14 -122.92 3 2 2 21 326.937 4
Hi High (pH 8-9.5) 3.22 9.34 -37.7 2 2 1 20 325.929 4
Mid Mid (pH 6-8) 3.22 10.31 -38.94 2 2 1 16 325.929 4

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

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