UCSF

ZINC86861392

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 18 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) 6.04 10.78 -5.84 0 1 0 13 243.394 0
Mid Mid (pH 6-8) 6.04 11.21 -28.73 1 1 1 14 244.402 0

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

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