UCSF

ZINC45394547

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 22 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) 2.96 0.42 -12.08 3 6 0 92 295.25 0
Hi High (pH 8-9.5) 2.96 1.35 -42.67 2 6 -1 95 294.242 0

Activity (Go SEA)

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