UCSF

ZINC25420498

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 29 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) 3.07 10.82 -42.73 2 5 1 54 414.957 6
Mid Mid (pH 6-8) 3.07 8.23 -9.85 1 5 0 53 413.949 6

Activity (Go SEA)

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