UCSF

ZINC28287671

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 24 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) 4.28 9.67 -23.34 1 5 0 64 339.42 5
Mid Mid (pH 6-8) 4.47 8.6 -49.6 0 5 -1 70 338.412 5

Activity (Go SEA)

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