UCSF

ZINC39679609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 1.72 8.71 -53.75 1 6 -1 90 339.371 4
Lo Low (pH 4.5-6) 1.72 7.05 -25.9 2 6 0 87 340.379 4

Activity (Go SEA)

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