UCSF

ZINC60481255

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 19 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) 0.85 4.75 -35.85 2 5 1 60 280.735 3
Hi High (pH 8-9.5) 0.85 5.19 -42.89 0 5 -1 61 278.719 3
Mid Mid (pH 6-8) 0.85 4.41 -11.57 1 5 0 58 279.727 3

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

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