UCSF

ZINC39907787

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 25 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) 5.44 12.84 -10.69 0 3 0 27 334.463 6
Mid Mid (pH 6-8) 5.44 13.29 -28.58 1 3 1 28 335.471 6

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