UCSF

ZINC62968653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 1.31 5.65 -35.61 2 5 1 46 284.424 8
Hi High (pH 8-9.5) 1.31 3.25 -3.88 1 5 0 45 283.416 8
Mid Mid (pH 6-8) 1.31 8.14 -87.23 3 5 2 51 285.432 8

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

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