UCSF

ZINC14009742

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 24 No

Other Names:

MFCD03838122

Download: MOL2 SDF SMILES Flexibase

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) 2.90 5.89 -11.54 2 5 0 75 346.745 3
Ref Reference (pH 7) 2.90 6.42 -10.52 2 5 0 75 346.745 3
Hi High (pH 8-9.5) 2.90 7.13 -41.39 1 5 -1 78 345.737 3
Hi High (pH 8-9.5) 2.90 6.67 -49.76 1 5 -1 78 345.737 3

Activity (Go SEA)

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

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