UCSF

ZINC39908480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 7.96 19.07 -12.64 0 3 0 27 462.637 9
Mid Mid (pH 6-8) 7.96 19.36 -31.07 1 3 1 28 463.645 9

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