UCSF

ZINC19366920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 26 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) 3.71 10.02 -40.31 2 4 1 38 355.502 9
Mid Mid (pH 6-8) 3.71 10.53 -30.87 2 4 1 35 355.502 9
Lo Low (pH 4.5-6) 3.71 11.82 -117.24 3 4 2 40 356.51 9

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

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