UCSF

ZINC20939284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 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) 2.94 7.36 -54.09 3 7 1 79 414.555 5
Hi High (pH 8-9.5) 2.94 4.83 -19.41 2 7 0 78 413.547 5

Activity (Go SEA)

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