UCSF

ZINC96316422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2014 28 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) 3.85 11.11 -56.18 1 4 1 40 378.492 3
Hi High (pH 8-9.5) 3.85 8.87 -11.34 0 4 0 39 377.484 3

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

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