UCSF

ZINC39942664

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 31 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) 6.63 15.86 -126.37 0 4 -2 80 430.629 9
Mid Mid (pH 6-8) 6.63 14.04 -49.57 1 4 -1 77 431.637 9
Lo Low (pH 4.5-6) 6.63 12.06 -7.92 2 4 0 75 432.645 9

Activity (Go SEA)

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