UCSF

ZINC70302401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 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) -0.26 -0.4 -58.71 4 8 1 133 259.267 4
Hi High (pH 8-9.5) -0.26 -0.71 -43.54 3 8 0 135 258.259 4
Mid Mid (pH 6-8) -0.26 -0.73 -13.4 3 8 0 131 258.259 4

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

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