UCSF

ZINC37321988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.83 5.54 -45.71 2 3 1 29 326.258 4
Lo Low (pH 4.5-6) 2.83 7.1 -36.21 2 3 1 26 326.258 4
Lo Low (pH 4.5-6) 2.83 8.02 -114.85 3 3 2 30 327.266 4

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

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