UCSF

ZINC37249514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.94 10.56 -103.41 3 3 2 36 275.421 5
Hi High (pH 8-9.5) 1.94 9.21 -8.55 1 3 0 30 273.405 5
Mid Mid (pH 6-8) 1.94 10.05 -53.34 2 3 1 34 274.413 5

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

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