UCSF

ZINC29926200

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.10 11.76 -49.2 2 5 1 51 339.463 5
Hi High (pH 8-9.5) 3.10 9.53 -13.5 1 5 0 50 338.455 5

Activity (Go SEA)

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