UCSF

ZINC39328318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 4.54 11.34 -124.13 2 6 -2 104 374.396 8
Lo Low (pH 4.5-6) 4.54 9.35 -57.99 3 6 -1 101 375.404 8

Activity (Go SEA)

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