UCSF

ZINC00277963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 22 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) 0.82 9.4 -272.36 0 8 -4 161 306.226 8
Lo Low (pH 4.5-6) 0.82 5.46 -98.63 2 8 -2 155 308.242 8
Lo Low (pH 4.5-6) 0.82 7.42 -181.97 1 8 -3 158 307.234 8

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

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