UCSF

ZINC29321252

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.31 10.08 -45.25 2 5 1 60 333.452 6
Hi High (pH 8-9.5) 3.31 7.9 -13.44 1 5 0 59 332.444 6

Activity (Go SEA)

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