UCSF

ZINC67974340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 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) -0.61 3.68 -57.93 4 10 1 125 359.414 7
Mid Mid (pH 6-8) -0.61 1.61 -17.7 3 10 0 124 358.406 7

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

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