UCSF

ZINC05067331

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 24 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) 4.54 6.8 -10.38 2 5 0 70 357.2 2
Hi High (pH 8-9.5) 5.00 4.76 -42.95 1 5 -1 73 356.192 2

Activity (Go SEA)

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