UCSF

ZINC28525573

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 19 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) 1.85 3.84 -120.84 0 8 -2 120 316.345 4
Lo Low (pH 4.5-6) 1.85 3.65 -42.56 1 8 -1 118 317.353 4

Activity (Go SEA)

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