UCSF

ZINC08652700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 21 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) 3.55 8 -9.48 1 4 0 51 302.761 5
Lo Low (pH 4.5-6) 3.55 1.36 -35.75 2 4 1 52 303.769 5

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

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