UCSF

ZINC39908564

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.81 13.38 -11.32 0 3 0 27 417.723 5
Lo Low (pH 4.5-6) 6.81 14.09 -37.86 1 3 1 28 418.731 5

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