UCSF

ZINC05328965

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 22 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) 1.64 -7.93 -19.35 1 7 0 92 348.446 6
Hi High (pH 8-9.5) 1.64 -7.37 -52.33 0 7 -1 94 347.438 6

Activity (Go SEA)

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