UCSF

ZINC62620415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 20 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) 2.02 7.74 -13.23 1 4 0 46 265.316 3
Lo Low (pH 4.5-6) 2.02 8.22 -33.74 2 4 1 48 266.324 3

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

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