UCSF

ZINC27891537

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 30 No

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) 5.56 11.29 -10.08 2 3 0 46 412.558 4
Lo Low (pH 4.5-6) 5.56 13.67 -44.1 3 3 1 48 413.566 4

Activity (Go SEA)

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