UCSF

ZINC39094783

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 9 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) 0.35 3.26 -40.09 1 2 1 22 126.179 0
Hi High (pH 8-9.5) 0.35 0.39 -4.17 0 2 0 20 125.171 0

Activity (Go SEA)

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