UCSF

ZINC36877943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.89 7.08 -29.48 4 3 1 56 264.352 3
Hi High (pH 8-9.5) 2.89 6.48 -6.59 3 3 0 55 263.344 3
Mid Mid (pH 6-8) 2.89 6.8 -45.64 4 3 1 56 264.352 3
Mid Mid (pH 6-8) 2.89 7.37 -118.63 5 3 2 58 265.36 3

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

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