UCSF

ZINC47303446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 24 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) 0.80 4.31 -41.87 3 6 1 66 331.44 6
Hi High (pH 8-9.5) 0.80 1.94 -9.4 2 6 0 65 330.432 6

Activity (Go SEA)

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