UCSF

ZINC39917218

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 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) 4.99 12.81 -41.9 1 5 1 35 421.609 9
Mid Mid (pH 6-8) 4.99 13.52 -85.79 2 5 2 36 422.617 9
Mid Mid (pH 6-8) 4.99 12.67 -38.45 1 5 1 35 421.609 9
Mid Mid (pH 6-8) 4.99 10.43 -10.4 0 5 0 34 420.601 9

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