UCSF

ZINC67458399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 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) 0.63 6.9 -103.67 4 6 2 70 341.459 3
Hi High (pH 8-9.5) 0.63 4.62 -13.99 2 6 0 67 339.443 3
Mid Mid (pH 6-8) 0.63 4.85 -55.28 3 6 1 69 340.451 3

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

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