UCSF

ZINC17196122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 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) 5.74 6.6 -44.44 0 5 -1 70 413.276 1
Ref Reference (pH 7) 4.80 8.36 -40.62 0 5 -1 66 413.276 2
Mid Mid (pH 6-8) 5.29 8.43 -8.59 1 5 0 67 414.284 1

Activity (Go SEA)

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