UCSF

ZINC20029250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.10 7.7 -82.42 1 7 0 91 414.531 8
Hi High (pH 8-9.5) 1.10 5.36 -66.4 0 7 -1 89 413.523 8

Activity (Go SEA)

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