UCSF

ZINC43403889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.60 1.77 -50.19 3 9 1 130 281.296 4
Hi High (pH 8-9.5) 0.60 1.53 -12.31 2 9 0 129 280.288 4

Activity (Go SEA)

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