UCSF

ZINC98240516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2014 8 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) 1.94 2.6 -2.89 1 1 0 12 242.942 0
Lo Low (pH 4.5-6) 1.94 3.79 -36.26 2 1 1 17 243.95 0

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

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