UCSF

ZINC03077722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 No

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) 3.11 8.95 -8.57 4 6 0 82 329.791 3
Lo Low (pH 4.5-6) 2.98 9.86 -45.34 5 6 1 86 330.799 4
Lo Low (pH 4.5-6) 3.11 8.89 -43.26 5 6 1 83 330.799 3

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

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