UCSF

ZINC53342106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.51 9.83 -117.8 3 2 2 21 268.489 5
Hi High (pH 8-9.5) 4.51 8.65 -33.54 2 2 1 16 267.481 5
Mid Mid (pH 6-8) 4.51 7.57 -36.65 2 2 1 20 267.481 5

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

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