UCSF

ZINC52881828

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.51 4.71 -32.31 4 5 1 72 285.371 4
Hi High (pH 8-9.5) 1.51 4.24 -9.41 3 5 0 71 284.363 4
Mid Mid (pH 6-8) 1.51 4.94 -99.19 5 5 2 74 286.379 4

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

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