UCSF

ZINC55104092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 4.05 7.97 -55.03 0 4 -1 58 334.193 1
Mid Mid (pH 6-8) 4.05 6.96 -10.12 1 4 0 55 335.201 1

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

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