UCSF

ZINC65536205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Other Names:

MFCD01143882

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) 1.37 6.61 -53.08 2 6 1 61 363.507 6
Lo Low (pH 4.5-6) 1.37 7.99 -98.4 3 6 2 65 364.515 6

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

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