UCSF

ZINC14951233

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 15 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) 3.35 6.74 -9.17 0 2 0 26 218.687 0
Lo Low (pH 4.5-6) 3.35 7.01 -30.46 1 2 1 27 219.695 0

Activity (Go SEA)

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