UCSF

ZINC19796801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 15 No

Other Names:

MFCD00449382

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) 0.23 -0.02 -41.89 0 5 -1 61 226.281 3
Hi High (pH 8-9.5) 0.41 0.81 -15.57 1 5 0 54 227.289 3
Lo Low (pH 4.5-6) 0.97 2.4 -32.71 2 5 1 59 228.297 2

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

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