UCSF

ZINC52883026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 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) 0.23 0.33 -37.34 3 7 -1 108 259.293 4
Mid Mid (pH 6-8) 0.23 0.64 -52.8 4 7 0 110 260.301 4
Lo Low (pH 4.5-6) 0.23 0.64 -49.18 5 7 1 111 261.309 4

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

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