UCSF

ZINC69741319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 30 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) 0.34 4.52 -51.02 4 10 1 143 427.466 5
Hi High (pH 8-9.5) 0.54 2.88 -59.66 2 10 -1 145 425.45 5
Mid Mid (pH 6-8) 0.34 4 -28.51 3 10 0 141 426.458 5

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

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