UCSF

ZINC26958138

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 17 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) 2.70 6.26 -7.69 2 3 0 41 225.295 1
Mid Mid (pH 6-8) 2.70 6.21 -8.67 2 3 0 41 225.295 1
Lo Low (pH 4.5-6) 2.70 6.48 -25.4 3 3 1 42 226.303 1

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

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