UCSF

ZINC44725307

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) -0.45 2.77 -40.9 2 5 1 55 233.332 9
Hi High (pH 8-9.5) -0.45 1.34 -11.27 1 5 0 51 232.324 9

Activity (Go SEA)

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