UCSF

ZINC05774686

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 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) 6.48 10.66 -15.45 2 5 0 71 382.419 5
Hi High (pH 8-9.5) 6.48 11.65 -63.45 1 5 -1 74 381.411 5

Activity (Go SEA)

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