UCSF

ZINC61415984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) 1.30 5.33 -46.38 2 4 1 50 268.34 1
Hi High (pH 8-9.5) 1.30 3.9 -11.79 1 4 0 45 267.332 1

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

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