UCSF

ZINC45231017

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 4.87 14.5 -43.86 3 5 1 67 414.529 8
Mid Mid (pH 6-8) 4.87 14.55 -9.08 2 5 0 65 413.521 8

Activity (Go SEA)

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