UCSF

ZINC71489471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.07 10.03 -49.68 1 6 -1 87 350.398 8
Mid Mid (pH 6-8) 2.07 10.53 -57.9 2 6 0 88 351.406 8
Lo Low (pH 4.5-6) 2.07 8.55 -35.94 3 6 1 85 352.414 8

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

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