UCSF

ZINC50048174

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 No

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) 0.85 2.54 -14.44 1 5 0 59 226.276 6
Mid Mid (pH 6-8) 0.85 4.34 -37.96 2 5 1 60 227.284 6

Activity (Go SEA)

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