UCSF

ZINC69255572

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 0.17 1.09 -43.35 2 8 -1 106 289.319 4
Mid Mid (pH 6-8) 0.17 3.19 -53.96 3 8 0 107 290.327 4
Lo Low (pH 4.5-6) -0.29 4.62 -42.14 4 8 1 104 291.335 4

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

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