UCSF

ZINC04745667

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 No

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) 5.41 12.69 -25.14 1 6 0 88 401.447 5
Hi High (pH 8-9.5) 5.48 11.76 -49.12 0 6 -1 94 400.439 5

Activity (Go SEA)

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