UCSF

ZINC16609360

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.26 8.51 -10.66 0 6 0 45 393.487 3
Lo Low (pH 4.5-6) 3.26 10.76 -43.4 1 6 1 46 394.495 3

Activity (Go SEA)

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