UCSF

ZINC50659511

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 17 Yes

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) -0.34 -0.27 -45.5 3 7 0 114 251.271 3
Hi High (pH 8-9.5) -0.34 -0.75 -43.21 2 7 -1 113 250.263 3
Lo Low (pH 4.5-6) -0.34 -0.66 -13.56 3 7 0 111 251.271 3

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

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