UCSF

ZINC06878682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2006 34 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) 5.07 15.07 -96.5 2 6 2 61 470.654 15
Hi High (pH 8-9.5) 5.07 14.59 -40.8 1 6 1 60 469.646 15

Activity (Go SEA)

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