UCSF

ZINC44884827

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) -1.84 -1.69 -41.77 3 9 -1 126 249.258 4
Lo Low (pH 4.5-6) -1.84 -1.54 -18.3 4 9 0 127 250.266 4

Activity (Go SEA)

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