UCSF

ZINC49235748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 1.44 2.97 -47.33 3 8 0 132 314.348 4
Mid Mid (pH 6-8) 1.44 2.81 -55.9 2 8 -1 131 313.34 4
Mid Mid (pH 6-8) 0.51 2.12 -113.13 1 8 -2 130 312.332 5

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

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