UCSF

ZINC27876629

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 25 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) 4.21 10.28 -54.14 1 4 -1 77 347.475 12
Lo Low (pH 4.5-6) 4.21 9.16 -13.26 2 4 0 75 348.483 12

Activity (Go SEA)

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