UCSF

ZINC62793201

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 18 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) 1.25 6.53 -84.56 4 4 2 50 264.76 2
Hi High (pH 8-9.5) 1.25 5.66 -7.04 2 4 0 47 262.744 2
Mid Mid (pH 6-8) 1.25 6.06 -53.93 3 4 1 49 263.752 2

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

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