UCSF

ZINC33361088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.27 3.84 -13.25 2 5 0 82 274.32 6
Hi High (pH 8-9.5) 2.27 4.77 -52.23 1 5 -1 85 273.312 6

Activity (Go SEA)

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