UCSF

ZINC12538317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 18 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) 1.74 7.18 -15.36 1 4 0 66 237.262 2
Lo Low (pH 4.5-6) 1.74 6.98 -34.87 2 4 1 67 238.27 2

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

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