UCSF

ZINC14760999

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 23 Yes

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) 2.87 -0.14 -19.98 4 7 0 124 318.281 4
Hi High (pH 8-9.5) 2.87 1.41 -128.61 2 7 -2 130 316.265 4
Hi High (pH 8-9.5) 2.87 0.63 -57.66 3 7 -1 127 317.273 4

Activity (Go SEA)

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

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