UCSF

ZINC62616810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.25 5.05 -18.09 1 7 0 88 369.402 2
Hi High (pH 8-9.5) 2.71 2.42 -49.56 0 7 -1 91 368.394 2

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

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