UCSF

ZINC41120769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 30 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) 4.84 9.59 -105.74 0 7 -2 125 413.414 5
Mid Mid (pH 6-8) 4.66 11.27 -61.49 1 7 -1 119 414.422 5

Activity (Go SEA)

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