UCSF

ZINC39987629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 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) 3.74 10.79 -44.38 1 3 1 37 281.379 6
Hi High (pH 8-9.5) 3.74 8.76 -6.6 0 3 0 36 280.371 6

Activity (Go SEA)

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