UCSF

ZINC48300433

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 3.22 12.52 -14.69 0 6 0 64 413.525 6
Lo Low (pH 4.5-6) 3.22 12.87 -43.98 1 6 1 65 414.533 6

Activity (Go SEA)

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