UCSF

ZINC19789594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.69 11.03 -46.14 2 4 1 55 398.91 4
Mid Mid (pH 6-8) 5.69 11.83 -33.11 1 4 0 58 397.902 4

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

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