UCSF

ZINC49236651

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 21 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) 2.73 10.08 -12.45 0 4 0 36 306.772 4
Mid Mid (pH 6-8) 2.73 10.59 -48.89 1 4 1 37 307.78 4
Lo Low (pH 4.5-6) 2.73 11.08 -89.64 2 4 2 38 308.788 4

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

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