UCSF

ZINC19437111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 1.30 3.54 -44.81 1 5 0 86 259.29 2
Mid Mid (pH 6-8) 1.12 3.09 -44.15 0 5 -1 85 258.282 3
Lo Low (pH 4.5-6) 1.12 2.94 -12.29 1 5 0 83 259.29 3

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

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