UCSF

ZINC18091273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 32 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) 7.16 13.55 -26.62 2 4 0 66 410.432 0
Mid Mid (pH 6-8) 7.16 12.46 -45.94 3 4 1 69 411.44 0

Activity (Go SEA)

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