UCSF

ZINC59513581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 4.98 10.27 -27.83 2 2 1 16 269.412 3
Mid Mid (pH 6-8) 4.98 9.62 -2.64 1 2 0 15 268.404 3

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

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