UCSF

ZINC08617519

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 11 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) 0.80 -0.57 -48.77 0 5 -1 75 153.117 2
Lo Low (pH 4.5-6) 0.34 0.24 -12.54 1 5 0 72 154.125 2

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

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