UCSF

ZINC40192630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 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) 5.03 13.3 -14.96 1 5 0 56 413.521 7
Lo Low (pH 4.5-6) 5.03 14.61 -35.67 2 5 1 57 414.529 7

Activity (Go SEA)

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