UCSF

ZINC69132089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 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) 0.88 3.27 -43.75 4 5 1 72 294.419 6
Hi High (pH 8-9.5) 0.88 2.17 -6.66 3 5 0 68 293.411 6
Lo Low (pH 4.5-6) 0.88 4.15 -109.33 5 5 2 73 295.427 6
Lo Low (pH 4.5-6) 0.88 3.02 -34.1 4 5 1 69 294.419 6

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

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