UCSF

ZINC05024298

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 17 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) 2.42 8.11 -32.82 1 3 1 23 236.335 6
Hi High (pH 8-9.5) 2.42 5.62 -6.82 0 3 0 22 235.327 6

Activity (Go SEA)

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