UCSF

ZINC13683014

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 4.09 2.54 -50.46 2 6 -1 101 280.263 3
Ref Reference (pH 7) 2.73 5.92 -62.95 3 6 0 95 281.271 4
Hi High (pH 8-9.5) 4.10 4.83 -105.68 1 6 -2 104 279.255 3
Hi High (pH 8-9.5) 4.09 3.37 -99.03 1 6 -2 104 279.255 3

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

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