UCSF

ZINC12651683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -1.12 1.58 -51.97 2 8 -1 112 193.146 2
Mid Mid (pH 6-8) -1.12 2.64 -39.8 3 8 0 113 194.154 2

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

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