UCSF

ZINC33809152

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 6.54 12.05 -21.47 1 6 0 77 488.572 5
Hi High (pH 8-9.5) 6.60 11.14 -50.43 0 6 -1 83 487.564 5

Activity (Go SEA)

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