UCSF

ZINC13674612

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 No

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) 1.26 3.66 -65.49 4 7 1 109 391.469 6
Hi High (pH 8-9.5) 1.26 4.88 -84.52 3 7 0 112 390.461 6

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

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