UCSF

ZINC09471842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 4.62 -5.69 -23.82 2 8 0 114 468.922 6
Hi High (pH 8-9.5) 4.62 -5.27 -64.52 1 8 -1 116 467.914 6

Activity (Go SEA)

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