UCSF

ZINC65523548

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 No

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) -1.37 4.07 -22.52 2 9 0 123 343.343 7
Mid Mid (pH 6-8) -1.18 1.45 -54.66 1 9 -1 129 342.335 7

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

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