UCSF

ZINC19367016

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 3.82 10.16 -37.52 2 4 1 38 373.492 9
Mid Mid (pH 6-8) 3.82 10.58 -34.39 2 4 1 35 373.492 9
Lo Low (pH 4.5-6) 3.82 11.97 -116.8 3 4 2 40 374.5 9

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

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