UCSF

ZINC44108022

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 3.48 8.07 -37.62 2 3 1 35 288.411 9
Hi High (pH 8-9.5) 3.48 6.82 -5.64 1 3 0 30 287.403 9

Activity (Go SEA)

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