UCSF

ZINC49545309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 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) 1.82 2.83 -47.09 3 8 0 132 314.348 3
Hi High (pH 8-9.5) 0.90 2.21 -131.17 1 8 -2 130 312.332 4
Mid Mid (pH 6-8) 1.82 2.76 -65.59 2 8 -1 131 313.34 3

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

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