UCSF

ZINC67515286

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 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) 2.94 4.14 -23.86 2 8 0 106 381.436 5
Mid Mid (pH 6-8) 2.94 4.55 -39.54 3 8 1 107 382.444 5

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

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