UCSF

ZINC42909005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.41 9.05 -118.56 4 2 2 32 262.441 4
Hi High (pH 8-9.5) 3.41 8.64 -28.66 3 2 1 30 261.433 4

Activity (Go SEA)

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