UCSF

ZINC37718752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 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) 0.01 2.48 -14.15 4 6 0 101 284.319 5
Lo Low (pH 4.5-6) 0.01 2.95 -43.28 5 6 1 102 285.327 5

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

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