UCSF

ZINC65337828

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 15 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) 2.12 2.17 -14.7 2 3 0 53 205.188 1
Hi High (pH 8-9.5) 2.58 2.93 -46.18 1 3 -1 60 204.18 1

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

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