UCSF

ZINC45316271

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 30 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) 4.43 10.27 -15.96 0 6 0 58 412.578 8
Mid Mid (pH 6-8) 4.43 12.49 -53.73 1 6 1 60 413.586 8

Activity (Go SEA)

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