UCSF

ZINC27524761

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 0.80 7.38 -98.08 3 6 0 93 413.371 4
Lo Low (pH 4.5-6) -1.94 6.42 -75.44 4 6 1 96 414.379 3

Activity (Go SEA)

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