UCSF

ZINC68851954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 28 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) 3.67 8.87 -56.47 0 5 -1 69 413.906 6
Mid Mid (pH 6-8) 3.67 8.8 -15.1 1 5 0 66 414.914 6

Activity (Go SEA)

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