UCSF

ZINC33908165

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 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) 6.93 12.61 -11.71 1 5 0 72 414.486 5
Ref Reference (pH 7) 6.44 12.63 -47.75 0 5 -1 70 413.478 6

Activity (Go SEA)

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