UCSF

ZINC34616638

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.20 5.67 -45.73 2 8 0 102 451.504 5
Mid Mid (pH 6-8) 5.20 5.61 -33.99 3 8 1 100 452.512 5

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