UCSF

ZINC40183827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 4.29 11.02 -11.99 1 6 0 69 428.536 8
Lo Low (pH 4.5-6) 4.29 11.52 -38.39 2 6 1 70 429.544 8

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