UCSF

ZINC62910925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 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) 2.83 7.4 -99.35 3 2 2 21 226.408 3
Hi High (pH 8-9.5) 2.83 5.93 -32.54 2 2 1 16 225.4 3
Mid Mid (pH 6-8) 2.83 6.15 -38.04 2 2 1 20 225.4 3

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

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