UCSF

ZINC29568878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 34 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) 5.69 17.29 -52.36 2 5 1 44 459.589 8
Hi High (pH 8-9.5) 5.69 15.05 -12.91 1 5 0 42 458.581 8

Activity (Go SEA)

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