UCSF

ZINC54907692

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 2.18 6.65 -39.4 2 4 1 46 309.484 4
Hi High (pH 8-9.5) 2.18 5.23 -7.31 1 4 0 41 308.476 4
Mid Mid (pH 6-8) 2.18 7.04 -91.42 3 4 2 47 310.492 4

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

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