UCSF

ZINC70118802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 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) 0.11 4.57 -57.42 5 9 1 126 278.344 4
Hi High (pH 8-9.5) 0.11 4.36 -13.42 4 9 0 125 277.336 4
Lo Low (pH 4.5-6) 0.11 4.94 -98.17 6 9 2 128 279.352 4

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

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