UCSF

ZINC05953727

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 27 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) 4.77 7.88 -18.14 2 6 0 80 364.401 6
Hi High (pH 8-9.5) 4.77 8.88 -66.16 1 6 -1 83 363.393 6

Activity (Go SEA)

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