UCSF

ZINC41515065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.39 4.66 -45.86 2 5 1 58 323.8 3
Hi High (pH 8-9.5) 2.39 2.39 -9.24 1 5 0 57 322.792 3

Activity (Go SEA)

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