UCSF

ZINC57993374

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 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) 2.92 4.77 -36.65 3 3 1 37 314.247 5
Hi High (pH 8-9.5) 2.92 5.53 -61.66 2 3 0 40 313.239 5
Mid Mid (pH 6-8) 2.92 6.13 -111.93 4 3 2 41 315.255 5
Mid Mid (pH 6-8) 2.92 3.66 -48.11 3 3 1 40 314.247 5

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

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