UCSF

ZINC40187766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 3.91 11.03 -16.02 1 7 0 82 395.459 8
Lo Low (pH 4.5-6) 3.91 11.52 -35.13 2 7 1 84 396.467 8

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