UCSF

ZINC12529564

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 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) 3.90 9.51 -15.26 1 4 0 46 313.788 3
Mid Mid (pH 6-8) 3.90 9.95 -33.92 2 4 1 48 314.796 3

Activity (Go SEA)

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