UCSF

ZINC69238499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) 2.58 9.12 -58.8 0 5 -1 61 258.301 5
Mid Mid (pH 6-8) 2.58 9.51 -33.21 1 5 0 62 259.309 5
Mid Mid (pH 6-8) 2.58 9.57 -44.92 1 5 0 62 259.309 5

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

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