UCSF

ZINC57477782

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 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) 5.28 13.45 -34.48 1 4 1 34 399.44 4
Mid Mid (pH 6-8) 5.28 13.13 -7.7 0 4 0 32 398.432 4

Activity (Go SEA)

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