UCSF

ZINC66171955

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 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) 2.31 6.74 -45.64 2 3 1 39 243.33 6
Mid Mid (pH 6-8) 2.31 5.35 -7.2 1 3 0 34 242.322 6

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

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