UCSF

ZINC36139393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 0.39 -0.15 -51.79 2 4 -1 75 208.168 1
Hi High (pH 8-9.5) 0.39 -0.64 -14.34 3 4 0 73 209.176 1
Mid Mid (pH 6-8) 0.39 -1.68 -6.04 3 4 0 73 209.176 1
Mid Mid (pH 6-8) 0.39 -0.97 -11.4 2 4 0 75 208.168 1

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

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