UCSF

ZINC43253560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.34 8.78 -119.84 4 2 2 32 344.977 7
Hi High (pH 8-9.5) 4.34 7.09 -1.75 2 2 0 29 342.961 7
Hi High (pH 8-9.5) 4.34 7.42 -48.71 3 2 1 31 343.969 7
Mid Mid (pH 6-8) 4.34 8.45 -30.94 3 2 1 30 343.969 7

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