UCSF

ZINC21669666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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) 2.64 5.93 -19.61 1 7 0 92 414.94 5
Mid Mid (pH 6-8) 2.71 5.02 -50.26 0 7 -1 99 413.932 5

Activity (Go SEA)

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