UCSF

ZINC62964794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 0.14 4.76 -37.98 3 4 1 43 290.431 3
Hi High (pH 8-9.5) 0.14 2.36 -3.8 2 4 0 42 289.423 3
Mid Mid (pH 6-8) 0.14 5.16 -106.26 4 4 2 45 291.439 3

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

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