UCSF

ZINC62321277

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 No

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) 0.78 8.47 -35.82 3 5 1 61 242.306 2
Mid Mid (pH 6-8) 0.78 8.01 -8.95 2 5 0 59 241.298 2
Lo Low (pH 4.5-6) 0.91 8.51 -88.31 4 5 2 60 243.314 3

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

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