UCSF

ZINC20740314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 1.79 6.49 -13.14 1 9 0 110 412.446 5
Mid Mid (pH 6-8) 1.79 8 -50.31 2 9 1 111 413.454 5

Activity (Go SEA)

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