UCSF

ZINC34671522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 4.69 12.23 -13.15 1 4 0 42 412.533 8
Lo Low (pH 4.5-6) 4.69 14.05 -43.37 2 4 1 43 413.541 8

Activity (Go SEA)

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