UCSF

ZINC62813652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 17 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 1.4 -102.34 4 6 2 68 237.307 1
Hi High (pH 8-9.5) -1.85 -0.42 -9.91 2 6 0 62 235.291 1
Mid Mid (pH 6-8) -1.85 0.94 -50.43 3 6 1 67 236.299 1

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

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