UCSF

ZINC05518897

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 29 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) 3.98 9.17 -15.55 2 9 0 126 413.459 7
Hi High (pH 8-9.5) 3.98 9.01 -47.01 1 9 -1 124 412.451 7

Activity (Go SEA)

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