UCSF

ZINC09462292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 4.56 12.82 -48.08 2 6 1 71 463.598 12
Mid Mid (pH 6-8) 3.97 13.53 -55.77 1 6 1 68 463.598 12

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