UCSF

ZINC19990417

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) 4.96 10.09 -20.52 2 8 0 114 512.638 9
Mid Mid (pH 6-8) 5.42 8.76 -46.95 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.