UCSF

ZINC05392662

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 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) 5.32 -1.58 -7.88 1 3 0 46 317.454 5
Hi High (pH 8-9.5) 5.32 -1 -43.66 0 3 -1 48 316.446 5

Activity (Go SEA)

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