UCSF

ZINC35042704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.21 6.74 -44.94 0 7 -1 81 413.475 8
Lo Low (pH 4.5-6) 4.21 7.54 -15 1 7 0 79 414.483 8

Activity (Go SEA)

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