UCSF

ZINC19990421

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 34 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) 5.19 9.99 -20.78 2 8 0 114 512.638 9
Mid Mid (pH 6-8) 5.64 8.76 -46.21 1 8 -1 117 511.63 9

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

No pre-computed analogs available. Try a structural similarity search.