UCSF

ZINC49330333

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 1.82 9.26 -103.65 3 3 2 36 263.41 5
Hi High (pH 8-9.5) 1.82 7.43 -7.87 1 3 0 30 261.394 5
Hi High (pH 8-9.5) 1.82 7.9 -30.01 2 3 1 31 262.402 5
Mid Mid (pH 6-8) 1.82 8.79 -53.74 2 3 1 34 262.402 5

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

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