UCSF

ZINC22851267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 34 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) 1.78 5.21 -49.05 3 9 1 94 469.562 9
Mid Mid (pH 6-8) 1.78 2.74 -12.17 2 9 0 92 468.554 9

Activity (Go SEA)

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