UCSF

ZINC05907520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 3.45 4.83 -16.86 3 6 0 87 375.428 6
Mid Mid (pH 6-8) 3.45 5.32 -29.73 4 6 1 88 376.436 6

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

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