UCSF

ZINC08979419

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 29 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) 2.92 -3.47 -13.85 2 6 0 83 426.929 5
Lo Low (pH 4.5-6) 2.92 -3.41 -45.24 3 6 1 85 427.937 5

Activity (Go SEA)

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