UCSF

ZINC43444046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 1.53 0.99 -46.54 4 3 1 57 261.139 5
Hi High (pH 8-9.5) 1.53 0.56 -6.89 3 3 0 55 260.131 5

Activity (Go SEA)

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