UCSF

ZINC43248701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.13 3.71 -96.79 6 4 2 75 297.468 5
Hi High (pH 8-9.5) 2.13 1.8 -6.86 4 4 0 72 295.452 5
Hi High (pH 8-9.5) 2.13 2.12 -36.79 5 4 1 74 296.46 5
Mid Mid (pH 6-8) 2.13 3.42 -27.53 5 4 1 74 296.46 5

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