UCSF

ZINC55104089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 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) 4.92 9.63 -12.06 1 5 0 64 362.429 4
Mid Mid (pH 6-8) 4.92 10.65 -60.45 0 5 -1 67 361.421 4
Lo Low (pH 4.5-6) 4.92 9.94 -37.32 2 5 1 66 363.437 4

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

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