UCSF

ZINC34664422

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 4.63 9.62 -45.44 2 2 1 26 274.359 6
Hi High (pH 8-9.5) 4.63 8.25 -5.5 1 2 0 21 273.351 6

Activity (Go SEA)

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