UCSF

ZINC49305668

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 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) 0.08 3.42 -42.95 2 5 1 57 226.3 3
Hi High (pH 8-9.5) 0.08 1.27 -9.67 1 5 0 56 225.292 3
Hi High (pH 8-9.5) 0.08 4.44 -61.17 1 5 0 60 225.292 3

Activity (Go SEA)

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