UCSF

ZINC52904643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.65 5.87 -33.6 4 5 1 71 322.845 3
Mid Mid (pH 6-8) 1.65 5.87 -8.3 3 5 0 69 321.837 3
Lo Low (pH 4.5-6) 1.65 6.32 -75.56 5 5 2 72 323.853 3

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

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