UCSF

ZINC67490822

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 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) 3.58 7.98 -36.86 3 5 1 62 342.492 4
Hi High (pH 8-9.5) 3.58 7.51 -9.24 2 5 0 61 341.484 4
Mid Mid (pH 6-8) 3.58 9.92 -106.38 4 5 2 63 343.5 4
Lo Low (pH 4.5-6) 3.58 9.46 -41 3 5 1 62 342.492 4

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

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