UCSF

ZINC61487244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 16 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) 0.66 4.52 -8.72 2 4 0 59 219.288 3
Mid Mid (pH 6-8) 0.66 4.59 -16.09 3 4 0 60 220.296 3

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

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