UCSF

ZINC58308568

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 1.85 6.77 -35.98 3 6 1 59 327.456 5
Hi High (pH 8-9.5) 1.85 6.45 -10.06 2 6 0 58 326.448 5
Mid Mid (pH 6-8) 1.85 7.97 -106.45 4 6 2 64 328.464 5
Mid Mid (pH 6-8) 1.85 7.81 -60.59 3 6 1 63 327.456 5

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

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