UCSF

ZINC39022616

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 19 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) 1.86 5.22 -5.73 0 4 0 33 262.353 5
Mid Mid (pH 6-8) 1.86 7.54 -41.84 1 4 1 34 263.361 5

Activity (Go SEA)

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