UCSF

ZINC21529576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 No

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) 3.35 10.94 -50.39 3 8 1 104 424.506 6
Hi High (pH 8-9.5) 3.42 7.51 -42.9 1 8 -1 109 422.49 6
Mid Mid (pH 6-8) 3.42 9.9 -54.21 2 8 0 111 423.498 6
Mid Mid (pH 6-8) 3.35 8.43 -13.21 2 8 0 103 423.498 6

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

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