UCSF

ZINC36877898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 3.49 7.84 -52.66 4 3 1 56 278.379 3
Mid Mid (pH 6-8) 3.49 7.89 -30.89 4 3 1 56 278.379 3
Mid Mid (pH 6-8) 3.49 7.54 -8.78 3 3 0 55 277.371 3
Lo Low (pH 4.5-6) 3.49 8.23 -123.42 5 3 2 58 279.387 3

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

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