UCSF

ZINC34851059

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 3.44 8.73 -40.34 1 4 1 26 365.925 6
Mid Mid (pH 6-8) 3.44 11 -82.14 2 4 2 27 366.933 6

Activity (Go SEA)

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