UCSF

ZINC33739348

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 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) -0.27 4.17 -13.92 2 9 0 113 413.459 3
Mid Mid (pH 6-8) -0.27 4.16 -22.14 2 9 0 113 413.459 3

Activity (Go SEA)

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