UCSF

ZINC09046779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.60 11.02 -50.81 2 7 1 81 453.559 9
Mid Mid (pH 6-8) 2.57 11.66 -48.75 1 7 1 77 453.559 10

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