UCSF

ZINC69759440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 17 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) -2.37 -10.04 -45.02 3 10 -1 176 283.267 4
Mid Mid (pH 6-8) -1.92 -12.63 -124.03 2 10 -2 179 282.259 4

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

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