UCSF

ZINC69100617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 No

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) -1.49 2.61 -39.46 2 6 0 94 318.439 7
Hi High (pH 8-9.5) -1.49 3.66 -46.6 2 6 0 91 318.439 7
Mid Mid (pH 6-8) -1.49 4.64 -75.14 3 6 1 95 319.447 7

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

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