UCSF

ZINC54933134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 Yes

Other Names:

MFCD28126206

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) 2.07 5 -43.72 2 2 1 26 214.235 2
Hi High (pH 8-9.5) 2.07 3.63 -2.22 1 2 0 21 213.227 2

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

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