UCSF

ZINC49180957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 35 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) 0.25 -5.99 -17.58 6 12 0 189 492.433 6
Hi High (pH 8-9.5) 0.25 -5.2 -52.63 5 12 -1 191 491.425 6

Activity (Go SEA)

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