UCSF

ZINC13220663

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 5.52 11.52 -11.57 0 4 0 41 385.463 7
Lo Low (pH 4.5-6) 5.52 11.79 -38.7 1 4 1 42 386.471 7

Activity (Go SEA)

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