UCSF

ZINC62994300

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 14 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) 0.31 5.99 -86.44 3 4 2 48 192.266 2
Mid Mid (pH 6-8) 0.31 5.52 -35.94 2 4 1 47 191.258 2

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

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