UCSF

ZINC53938443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 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) 1.95 7.12 -37.67 2 3 1 20 290.475 6
Mid Mid (pH 6-8) 1.95 8.19 -89.95 3 3 2 24 291.483 6
Lo Low (pH 4.5-6) 1.95 10.66 -196.46 4 3 3 25 292.491 6
Lo Low (pH 4.5-6) 1.95 9.52 -103.04 3 3 2 21 291.483 6

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

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