UCSF

ZINC63236392

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 22 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) 4.69 10.66 -111.97 2 2 2 18 333.262 2
Mid Mid (pH 6-8) 4.69 8.53 -28.99 1 2 1 17 332.254 2

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

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