UCSF

ZINC67473240

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 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) 1.94 10.16 -97.43 3 5 2 53 318.396 5
Hi High (pH 8-9.5) 1.94 7.44 -17.79 1 5 0 50 316.38 5
Mid Mid (pH 6-8) 1.94 9.7 -58.27 2 5 1 51 317.388 5
Mid Mid (pH 6-8) 1.94 7.9 -33.16 2 5 1 51 317.388 5

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

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