UCSF

ZINC39954352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 23 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) 0.11 7.07 -56.97 0 7 -1 92 321.353 5
Lo Low (pH 4.5-6) 0.11 7.48 -74.27 1 7 0 93 322.361 5

Activity (Go SEA)

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