UCSF

ZINC36338630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 44 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) 1.95 12.39 -75.81 4 12 0 163 611.74 10
Mid Mid (pH 6-8) 1.95 10.4 -53.75 3 12 -1 162 610.732 10
Lo Low (pH 4.5-6) 1.95 10.41 -56.73 5 12 1 160 612.748 10

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

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