UCSF

ZINC43755000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2010 20 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) 5.13 12.7 -110.09 2 2 2 9 282.516 8
Mid Mid (pH 6-8) 5.13 11.04 -30.92 1 2 1 8 281.508 8

Activity (Go SEA)

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