UCSF

ZINC54989815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 Yes

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) 1.04 10.75 -61.81 1 5 1 72 333.843 9
Mid Mid (pH 6-8) 1.04 8.73 -19.54 0 5 0 71 332.835 9

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Rings

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