UCSF

ZINC55066525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 2.64 7.94 -82.28 4 4 2 48 286.423 3
Hi High (pH 8-9.5) 2.64 5.63 -4.69 2 4 0 45 284.407 3
Mid Mid (pH 6-8) 2.64 7.47 -35.83 3 4 1 47 285.415 3

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

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