UCSF

ZINC01319914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 25 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) 3.67 -1.75 -35.64 2 4 1 46 341.475 5
Lo Low (pH 4.5-6) 3.67 -1.65 -94.57 3 4 2 48 342.483 5

Activity (Go SEA)

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